66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229    0.000056    0.000008   -0.000078
Rb    5.562048   -1.266912   -3.730069    0.000360   -0.000116    0.000014
Rb    5.409031   -1.938073    3.309202   -0.000138   -0.001598   -0.001774
Rb    4.900837    4.947405    3.658787   -0.000036    0.000264   -0.000178
Rb    1.957745   -1.349037   -0.695844   -0.004246    0.003976   -0.003828
Rb    5.219379    1.852905   -0.105110    0.000538   -0.000546   -0.000140
Rb    1.979625    2.349444   -4.303465   -0.000024    0.000142   -0.000040
Rb    1.844681    1.801960    3.734172    0.003742   -0.003578    0.003540
Rb    1.514913    5.519417    0.065075   -0.001112   -0.000302    0.000888
Rb   -1.599683    2.395290   -0.272357    0.000158    0.001558    0.001728
Rb   -1.558912    5.687212   -3.359765   -0.000050    0.000076    0.000296
Rb   -1.339333   -1.092384   -3.904605   -0.000198    0.000054   -0.000144
Rb   -1.410616   -1.403061    3.145692   -0.000364    0.000388    0.000090
Rb   -1.930641    5.433379    3.450159    0.001942   -0.002714   -0.002954
Br    5.448766    2.177201   -3.644931   -0.000014   -0.000140    0.000008
Br    5.986399   -1.504793   -0.295813   -0.001666    0.002612   -0.001960
Br    5.547345    1.538606    3.504508   -0.000594    0.000244    0.000008
Br    5.148489    5.467567    0.213718    0.000190   -0.000488    0.000038
Br    1.825453    5.787529   -3.475845    0.000330   -0.000042   -0.000322
Br    2.117472   -1.148839   -4.166484    0.000032   -0.000110    0.000480
Br    1.988013   -1.689773    3.998561   -0.000300    0.000698    0.000090
Br    1.525460    5.680921    3.705754    0.001908   -0.001082    0.001414
Br   -1.512676    2.349508   -3.859612    0.000088   -0.000350   -0.000368
Br   -1.743293   -1.082055   -0.462212    0.000542   -0.000216   -0.000114
Br   -2.169147    1.958242    3.336037    0.001474   -0.002322    0.001824
Br   -1.981525    5.880617   -0.008150   -0.000470    0.000784   -0.000860
Br    1.821566    2.142807   -0.961470    0.000426   -0.000864   -0.000074
Br   -1.826535    5.106684    6.861710    0.000144   -0.000054    0.000370
Rb    1.583558    5.095108    7.137986    0.000004    0.000304    0.000018
Br    5.006506    4.955327    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751108    1.714675    6.770646   -0.000330    0.000134    0.000044
Br    1.693664    1.602400    7.205026   -0.000004    0.000042   -0.000260
Rb    5.151228    1.549030    6.947422    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730190    6.684625   -0.000004    0.000134    0.000048
Rb    1.837682   -1.897175    7.340017    0.000016   -0.000120    0.000058
Br    5.328823   -1.893546    6.898027   -0.000026    0.000364    0.000458
Rb   -1.349073   -5.047311    6.195227   -0.000018    0.000026    0.000118
Br    1.997024   -5.332850    6.508664   -0.000368    0.000034    0.000366
Rb    5.381316   -5.231526    6.394790    0.000046   -0.000092   -0.000282
Br   -1.333237   -5.018452    2.826355   -0.000132    0.000420   -0.000032
Rb    2.299811   -5.065502    2.967612    0.001564    0.000036   -0.000756
Br    5.794993   -5.422786    3.042760    0.000516   -0.000710    0.000990
Rb   -1.094783   -4.492199   -0.618186   -0.000052   -0.000290    0.000170
Br    2.282418   -5.222263   -0.672012   -0.002138    0.001356   -0.001498
Rb    5.738716   -4.977351   -0.414118   -0.002380    0.002316    0.002586
Br   -1.197155   -4.498547   -4.008120   -0.000054    0.000054    0.000042
Rb    2.225432   -4.641060   -4.105164   -0.000016   -0.000318   -0.000020
Br    5.636038   -4.658824   -3.825897   -0.000182    0.000090   -0.000340
O     0.452098    0.335831    1.433225    0.001566    0.004270   -0.001098
H     0.940890    0.971977    0.887064   -0.001272   -0.088906   -0.107882
H    -0.208253   -0.055831    0.833582   -0.095872    0.014916    0.106360
O     3.357805    0.117961    1.605028   -0.000670   -0.004540    0.000552
H     4.013966    0.512828    2.207249    0.101290   -0.017546   -0.109676
H     2.868186   -0.518457    2.150072   -0.020204    0.114360    0.116550
O     0.216467    3.445708    1.842699    0.034310   -0.042156    0.014054
H     0.619911    4.098971    2.446352   -0.579426    0.496910   -0.160266
H    -0.478827    2.990119    2.355744   -0.716328    0.713502   -0.330988
O     3.593162   -2.987890    1.191593   -0.038306    0.046228   -0.016152
H     4.289785   -2.532360    0.680242    0.781008   -0.776546    0.365660
H     3.190787   -3.641074    0.587171    0.649896   -0.558276    0.180584
O     3.185062    3.384454    1.661840   -0.002862   -0.004298    0.000416
H     3.746777    3.998920    1.156106   -0.006952    0.074446    0.096948
H     2.643378    2.928236    0.994142    0.061566    0.035456   -0.076400
O     0.622476   -2.931070    1.376942    0.004800    0.003144   -0.000858
H     1.164712   -2.474151    2.043758   -0.087228   -0.002374    0.074692
H     0.063720   -3.547489    1.883641   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171645    5.493463   -3.155238    0.000056    0.000008   -0.000078
Rb    5.562089   -1.266925   -3.730067    0.000360   -0.000116    0.000014
Rb    5.409015   -1.938255    3.309000   -0.000138   -0.001598   -0.001774
Rb    4.900833    4.947435    3.658767   -0.000036    0.000264   -0.000178
Rb    1.957262   -1.348585   -0.696279   -0.004246    0.003976   -0.003828
Rb    5.219440    1.852843   -0.105126    0.000538   -0.000546   -0.000140
Rb    1.979622    2.349460   -4.303470   -0.000024    0.000142   -0.000040
Rb    1.845106    1.801553    3.734574    0.003742   -0.003578    0.003540
Rb    1.514787    5.519383    0.065176   -0.001112   -0.000302    0.000888
Rb   -1.599665    2.395467   -0.272161    0.000158    0.001558    0.001728
Rb   -1.558918    5.687221   -3.359731   -0.000050    0.000076    0.000296
Rb   -1.339356   -1.092378   -3.904621   -0.000198    0.000054   -0.000144
Rb   -1.410657   -1.403017    3.145702   -0.000364    0.000388    0.000090
Rb   -1.930420    5.433071    3.449823    0.001942   -0.002714   -0.002954
Br    5.448764    2.177185   -3.644930   -0.000014   -0.000140    0.000008
Br    5.986210   -1.504496   -0.296036   -0.001666    0.002612   -0.001960
Br    5.547277    1.538634    3.504509   -0.000594    0.000244    0.000008
Br    5.148511    5.467512    0.213722    0.000190   -0.000488    0.000038
Br    1.825491    5.787524   -3.475882    0.000330   -0.000042   -0.000322
Br    2.117476   -1.148852   -4.166429    0.000032   -0.000110    0.000480
Br    1.987979   -1.689694    3.998571   -0.000300    0.000698    0.000090
Br    1.525677    5.680798    3.705915    0.001908   -0.001082    0.001414
Br   -1.512666    2.349468   -3.859654    0.000088   -0.000350   -0.000368
Br   -1.743231   -1.082080   -0.462225    0.000542   -0.000216   -0.000114
Br   -2.168979    1.957978    3.336244    0.001474   -0.002322    0.001824
Br   -1.981578    5.880706   -0.008248   -0.000470    0.000784   -0.000860
Br    1.821614    2.142709   -0.961478    0.000426   -0.000864   -0.000074
Br   -1.826519    5.106678    6.861752    0.000144   -0.000054    0.000370
Rb    1.583558    5.095143    7.137988    0.000004    0.000304    0.000018
Br    5.006511    4.955323    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751146    1.714690    6.770651   -0.000330    0.000134    0.000044
Br    1.693664    1.602405    7.204996   -0.000004    0.000042   -0.000260
Rb    5.151246    1.549026    6.947438    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730175    6.684630   -0.000004    0.000134    0.000048
Rb    1.837684   -1.897189    7.340024    0.000016   -0.000120    0.000058
Br    5.328820   -1.893505    6.898079   -0.000026    0.000364    0.000458
Rb   -1.349075   -5.047308    6.195240   -0.000018    0.000026    0.000118
Br    1.996982   -5.332846    6.508706   -0.000368    0.000034    0.000366
Rb    5.381321   -5.231536    6.394758    0.000046   -0.000092   -0.000282
Br   -1.333252   -5.018404    2.826351   -0.000132    0.000420   -0.000032
Rb    2.299989   -5.065498    2.967526    0.001564    0.000036   -0.000756
Br    5.795052   -5.422867    3.042873    0.000516   -0.000710    0.000990
Rb   -1.094789   -4.492232   -0.618167   -0.000052   -0.000290    0.000170
Br    2.282175   -5.222109   -0.672182   -0.002138    0.001356   -0.001498
Rb    5.738446   -4.977088   -0.413824   -0.002380    0.002316    0.002586
Br   -1.197161   -4.498541   -4.008115   -0.000054    0.000054    0.000042
Rb    2.225430   -4.641096   -4.105166   -0.000016   -0.000318   -0.000020
Br    5.636017   -4.658814   -3.825936   -0.000182    0.000090   -0.000340
O     0.452276    0.336316    1.433100    0.001566    0.004270   -0.001098
H     0.940745    0.961873    0.874804   -0.001272   -0.088906   -0.107882
H    -0.219148   -0.054136    0.845669   -0.095872    0.014916    0.106360
O     3.357729    0.117445    1.605091   -0.000670   -0.004540    0.000552
H     4.025477    0.510834    2.194785    0.101290   -0.017546   -0.109676
H     2.865890   -0.505461    2.163317   -0.020204    0.114360    0.116550
O     0.220366    3.440917    1.844296    0.034310   -0.042156    0.014054
H     0.554062    4.155442    2.428139   -0.579426    0.496910   -0.160266
H    -0.560234    3.071205    2.318129   -0.716328    0.713502   -0.330988
O     3.588809   -2.982636    1.189757   -0.038306    0.046228   -0.016152
H     4.378543   -2.620610    0.721797    0.781008   -0.776546    0.365660
H     3.264644   -3.704519    0.607693    0.649896   -0.558276    0.180584
O     3.184737    3.383966    1.661887   -0.002862   -0.004298    0.000416
H     3.745987    4.007380    1.167124   -0.006952    0.074446    0.096948
H     2.650375    2.932265    0.985460    0.061566    0.035456   -0.076400
O     0.623021   -2.930713    1.376844    0.004800    0.003144   -0.000858
H     1.154799   -2.474421    2.052246   -0.087228   -0.002374    0.074692
H     0.061943   -3.552716    1.873559   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171651    5.493464   -3.155246    0.000056    0.000008   -0.000078
Rb    5.562125   -1.266937   -3.730066    0.000360   -0.000116    0.000014
Rb    5.409001   -1.938417    3.308821   -0.000138   -0.001598   -0.001774
Rb    4.900829    4.947462    3.658749   -0.000036    0.000264   -0.000178
Rb    1.956832   -1.348182   -0.696667   -0.004246    0.003976   -0.003828
Rb    5.219495    1.852788   -0.105140    0.000538   -0.000546   -0.000140
Rb    1.979620    2.349475   -4.303474   -0.000024    0.000142   -0.000040
Rb    1.845485    1.801191    3.734933    0.003742   -0.003578    0.003540
Rb    1.514674    5.519352    0.065266   -0.001112   -0.000302    0.000888
Rb   -1.599649    2.395625   -0.271986    0.000158    0.001558    0.001728
Rb   -1.558923    5.687228   -3.359701   -0.000050    0.000076    0.000296
Rb   -1.339376   -1.092372   -3.904636   -0.000198    0.000054   -0.000144
Rb   -1.410694   -1.402978    3.145711   -0.000364    0.000388    0.000090
Rb   -1.930224    5.432796    3.449524    0.001942   -0.002714   -0.002954
Br    5.448763    2.177171   -3.644929   -0.000014   -0.000140    0.000008
Br    5.986041   -1.504231   -0.296234   -0.001666    0.002612   -0.001960
Br    5.547217    1.538658    3.504510   -0.000594    0.000244    0.000008
Br    5.148530    5.467462    0.213726    0.000190   -0.000488    0.000038
Br    1.825524    5.787520   -3.475914    0.000330   -0.000042   -0.000322
Br    2.117479   -1.148863   -4.166381    0.000032   -0.000110    0.000480
Br    1.987949   -1.689623    3.998580   -0.000300    0.000698    0.000090
Br    1.525870    5.680688    3.706058    0.001908   -0.001082    0.001414
Br   -1.512657    2.349433   -3.859691    0.000088   -0.000350   -0.000368
Br   -1.743176   -1.082101   -0.462237    0.000542   -0.000216   -0.000114
Br   -2.168830    1.957743    3.336429    0.001474   -0.002322    0.001824
Br   -1.981626    5.880786   -0.008335   -0.000470    0.000784   -0.000860
Br    1.821658    2.142621   -0.961486    0.000426   -0.000864   -0.000074
Br   -1.826504    5.106672    6.861790    0.000144   -0.000054    0.000370
Rb    1.583559    5.095173    7.137990    0.000004    0.000304    0.000018
Br    5.006515    4.955320    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751179    1.714704    6.770655   -0.000330    0.000134    0.000044
Br    1.693663    1.602409    7.204970   -0.000004    0.000042   -0.000260
Rb    5.151262    1.549023    6.947453    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730161    6.684635   -0.000004    0.000134    0.000048
Rb    1.837685   -1.897201    7.340029    0.000016   -0.000120    0.000058
Br    5.328817   -1.893468    6.898125   -0.000026    0.000364    0.000458
Rb   -1.349077   -5.047305    6.195252   -0.000018    0.000026    0.000118
Br    1.996945   -5.332843    6.508743   -0.000368    0.000034    0.000366
Rb    5.381326   -5.231546    6.394729    0.000046   -0.000092   -0.000282
Br   -1.333265   -5.018362    2.826348   -0.000132    0.000420   -0.000032
Rb    2.300147   -5.065494    2.967449    0.001564    0.000036   -0.000756
Br    5.795104   -5.422939    3.042973    0.000516   -0.000710    0.000990
Rb   -1.094794   -4.492261   -0.618149   -0.000052   -0.000290    0.000170
Br    2.281958   -5.221971   -0.672334   -0.002138    0.001356   -0.001498
Rb    5.738204   -4.976853   -0.413562   -0.002380    0.002316    0.002586
Br   -1.197167   -4.498535   -4.008111   -0.000054    0.000054    0.000042
Rb    2.225429   -4.641128   -4.105168   -0.000016   -0.000318   -0.000020
Br    5.635999   -4.658805   -3.825970   -0.000182    0.000090   -0.000340
O     0.452435    0.336749    1.432989    0.001566    0.004270   -0.001098
H     0.940617    0.952864    0.863872   -0.001272   -0.088906   -0.107882
H    -0.228863   -0.052624    0.856447   -0.095872    0.014916    0.106360
O     3.357661    0.116985    1.605147   -0.000670   -0.004540    0.000552
H     4.035741    0.509056    2.183671    0.101290   -0.017546   -0.109676
H     2.863843   -0.493873    2.175127   -0.020204    0.114360    0.116550
O     0.223843    3.436646    1.845720    0.034310   -0.042156    0.014054
H     0.495349    4.205794    2.411899   -0.579426    0.496910   -0.160266
H    -0.632819    3.143504    2.284590   -0.716328    0.713502   -0.330988
O     3.584927   -2.977952    1.188121   -0.038306    0.046228   -0.016152
H     4.457682   -2.699298    0.758850    0.781008   -0.776546    0.365660
H     3.330498   -3.761089    0.625992    0.649896   -0.558276    0.180584
O     3.184447    3.383530    1.661929   -0.002862   -0.004298    0.000416
H     3.745282    4.014924    1.176947   -0.006952    0.074446    0.096948
H     2.656613    2.935858    0.977718    0.061566    0.035456   -0.076400
O     0.623508   -2.930394    1.376758    0.004800    0.003144   -0.000858
H     1.145960   -2.474661    2.059815   -0.087228   -0.002374    0.074692
H     0.060359   -3.557376    1.864570   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171655    5.493464   -3.155252    0.000056    0.000008   -0.000078
Rb    5.562153   -1.266946   -3.730065    0.000360   -0.000116    0.000014
Rb    5.408991   -1.938541    3.308682   -0.000138   -0.001598   -0.001774
Rb    4.900826    4.947482    3.658735   -0.000036    0.000264   -0.000178
Rb    1.956501   -1.347872   -0.696966   -0.004246    0.003976   -0.003828
Rb    5.219537    1.852745   -0.105151    0.000538   -0.000546   -0.000140
Rb    1.979618    2.349486   -4.303477   -0.000024    0.000142   -0.000040
Rb    1.845777    1.800912    3.735209    0.003742   -0.003578    0.003540
Rb    1.514587    5.519329    0.065335   -0.001112   -0.000302    0.000888
Rb   -1.599637    2.395747   -0.271851    0.000158    0.001558    0.001728
Rb   -1.558927    5.687234   -3.359678   -0.000050    0.000076    0.000296
Rb   -1.339391   -1.092368   -3.904647   -0.000198    0.000054   -0.000144
Rb   -1.410723   -1.402947    3.145718   -0.000364    0.000388    0.000090
Rb   -1.930072    5.432584    3.449293    0.001942   -0.002714   -0.002954
Br    5.448762    2.177160   -3.644929   -0.000014   -0.000140    0.000008
Br    5.985911   -1.504028   -0.296387   -0.001666    0.002612   -0.001960
Br    5.547171    1.538677    3.504510   -0.000594    0.000244    0.000008
Br    5.148545    5.467424    0.213729    0.000190   -0.000488    0.000038
Br    1.825550    5.787517   -3.475939    0.000330   -0.000042   -0.000322
Br    2.117481   -1.148871   -4.166343    0.000032   -0.000110    0.000480
Br    1.987925   -1.689568    3.998587   -0.000300    0.000698    0.000090
Br    1.526019    5.680604    3.706168    0.001908   -0.001082    0.001414
Br   -1.512650    2.349405   -3.859720    0.000088   -0.000350   -0.000368
Br   -1.743134   -1.082118   -0.462245    0.000542   -0.000216   -0.000114
Br   -2.168715    1.957562    3.336571    0.001474   -0.002322    0.001824
Br   -1.981663    5.880847   -0.008402   -0.000470    0.000784   -0.000860
Br    1.821691    2.142554   -0.961492    0.000426   -0.000864   -0.000074
Br   -1.826493    5.106668    6.861818    0.000144   -0.000054    0.000370
Rb    1.583559    5.095197    7.137991    0.000004    0.000304    0.000018
Br    5.006518    4.955317    7.048818    0.000042   -0.000034    0.000002
Rb   -1.751205    1.714714    6.770659   -0.000330    0.000134    0.000044
Br    1.693663    1.602412    7.204950   -0.000004    0.000042   -0.000260
Rb    5.151275    1.549020    6.947464    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730151    6.684639   -0.000004    0.000134    0.000048
Rb    1.837687   -1.897210    7.340034    0.000016   -0.000120    0.000058
Br    5.328815   -1.893439    6.898161   -0.000026    0.000364    0.000458
Rb   -1.349078   -5.047303    6.195262   -0.000018    0.000026    0.000118
Br    1.996916   -5.332840    6.508771   -0.000368    0.000034    0.000366
Rb    5.381329   -5.231553    6.394707    0.000046   -0.000092   -0.000282
Br   -1.333276   -5.018329    2.826346   -0.000132    0.000420   -0.000032
Rb    2.300269   -5.065491    2.967390    0.001564    0.000036   -0.000756
Br    5.795144   -5.422994    3.043050    0.000516   -0.000710    0.000990
Rb   -1.094798   -4.492284   -0.618136   -0.000052   -0.000290    0.000170
Br    2.281792   -5.221866   -0.672451   -0.002138    0.001356   -0.001498
Rb    5.738019   -4.976672   -0.413360   -0.002380    0.002316    0.002586
Br   -1.197171   -4.498531   -4.008108   -0.000054    0.000054    0.000042
Rb    2.225427   -4.641153   -4.105170   -0.000016   -0.000318   -0.000020
Br    5.635985   -4.658798   -3.825997   -0.000182    0.000090   -0.000340
O     0.452557    0.337082    1.432903    0.001566    0.004270   -0.001098
H     0.940517    0.945927    0.855454   -0.001272   -0.088906   -0.107882
H    -0.236344   -0.051460    0.864746   -0.095872    0.014916    0.106360
O     3.357609    0.116631    1.605190   -0.000670   -0.004540    0.000552
H     4.043645    0.507687    2.175113    0.101290   -0.017546   -0.109676
H     2.862266   -0.484949    2.184222   -0.020204    0.114360    0.116550
O     0.226520    3.433356    1.846817    0.034310   -0.042156    0.014054
H     0.450134    4.244570    2.399393   -0.579426    0.496910   -0.160266
H    -0.688717    3.199181    2.258762   -0.716328    0.713502   -0.330988
O     3.581938   -2.974345    1.186860   -0.038306    0.046228   -0.016152
H     4.518627   -2.759894    0.787383    0.781008   -0.776546    0.365660
H     3.381212   -3.804653    0.640084    0.649896   -0.558276    0.180584
O     3.184223    3.383195    1.661962   -0.002862   -0.004298    0.000416
H     3.744740    4.020733    1.184513   -0.006952    0.074446    0.096948
H     2.661417    2.938625    0.971756    0.061566    0.035456   -0.076400
O     0.623882   -2.930149    1.376691    0.004800    0.003144   -0.000858
H     1.139153   -2.474847    2.065643   -0.087228   -0.002374    0.074692
H     0.059139   -3.560965    1.857648   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171658    5.493465   -3.155255    0.000056    0.000008   -0.000078
Rb    5.562170   -1.266951   -3.730064    0.000360   -0.000116    0.000014
Rb    5.408984   -1.938615    3.308600   -0.000138   -0.001598   -0.001774
Rb    4.900825    4.947495    3.658727   -0.000036    0.000264   -0.000178
Rb    1.956304   -1.347688   -0.697143   -0.004246    0.003976   -0.003828
Rb    5.219562    1.852720   -0.105158    0.000538   -0.000546   -0.000140
Rb    1.979617    2.349492   -4.303479   -0.000024    0.000142   -0.000040
Rb    1.845951    1.800746    3.735373    0.003742   -0.003578    0.003540
Rb    1.514536    5.519315    0.065376   -0.001112   -0.000302    0.000888
Rb   -1.599629    2.395819   -0.271771    0.000158    0.001558    0.001728
Rb   -1.558929    5.687238   -3.359665   -0.000050    0.000076    0.000296
Rb   -1.339400   -1.092366   -3.904654   -0.000198    0.000054   -0.000144
Rb   -1.410740   -1.402929    3.145723   -0.000364    0.000388    0.000090
Rb   -1.929982    5.432458    3.449157    0.001942   -0.002714   -0.002954
Br    5.448761    2.177153   -3.644928   -0.000014   -0.000140    0.000008
Br    5.985834   -1.503907   -0.296478   -0.001666    0.002612   -0.001960
Br    5.547143    1.538689    3.504511   -0.000594    0.000244    0.000008
Br    5.148553    5.467401    0.213731    0.000190   -0.000488    0.000038
Br    1.825565    5.787515   -3.475954    0.000330   -0.000042   -0.000322
Br    2.117483   -1.148876   -4.166321    0.000032   -0.000110    0.000480
Br    1.987911   -1.689536    3.998592   -0.000300    0.000698    0.000090
Br    1.526107    5.680554    3.706234    0.001908   -0.001082    0.001414
Br   -1.512646    2.349389   -3.859737    0.000088   -0.000350   -0.000368
Br   -1.743109   -1.082128   -0.462251    0.000542   -0.000216   -0.000114
Br   -2.168647    1.957454    3.336656    0.001474   -0.002322    0.001824
Br   -1.981684    5.880883   -0.008442   -0.000470    0.000784   -0.000860
Br    1.821711    2.142514   -0.961495    0.000426   -0.000864   -0.000074
Br   -1.826486    5.106666    6.861836    0.000144   -0.000054    0.000370
Rb    1.583559    5.095211    7.137992    0.000004    0.000304    0.000018
Br    5.006520    4.955315    7.048818    0.000042   -0.000034    0.000002
Rb   -1.751220    1.714720    6.770661   -0.000330    0.000134    0.000044
Br    1.693663    1.602414    7.204938   -0.000004    0.000042   -0.000260
Rb    5.151282    1.549018    6.947471    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730145    6.684641   -0.000004    0.000134    0.000048
Rb    1.837687   -1.897216    7.340037    0.000016   -0.000120    0.000058
Br    5.328814   -1.893422    6.898182   -0.000026    0.000364    0.000458
Rb   -1.349079   -5.047302    6.195267   -0.000018    0.000026    0.000118
Br    1.996899   -5.332838    6.508788   -0.000368    0.000034    0.000366
Rb    5.381332   -5.231557    6.394694    0.000046   -0.000092   -0.000282
Br   -1.333282   -5.018309    2.826344   -0.000132    0.000420   -0.000032
Rb    2.300342   -5.065490    2.967355    0.001564    0.000036   -0.000756
Br    5.795168   -5.423027    3.043096    0.000516   -0.000710    0.000990
Rb   -1.094801   -4.492297   -0.618128   -0.000052   -0.000290    0.000170
Br    2.281693   -5.221803   -0.672520   -0.002138    0.001356   -0.001498
Rb    5.737908   -4.976565   -0.413241   -0.002380    0.002316    0.002586
Br   -1.197173   -4.498529   -4.008106   -0.000054    0.000054    0.000042
Rb    2.225427   -4.641168   -4.105171   -0.000016   -0.000318   -0.000020
Br    5.635976   -4.658793   -3.826012   -0.000182    0.000090   -0.000340
O     0.452629    0.337280    1.432852    0.001566    0.004270   -0.001098
H     0.940458    0.941812    0.850461   -0.001272   -0.088906   -0.107882
H    -0.240781   -0.050770    0.869669   -0.095872    0.014916    0.106360
O     3.357578    0.116421    1.605215   -0.000670   -0.004540    0.000552
H     4.048333    0.506875    2.170037    0.101290   -0.017546   -0.109676
H     2.861331   -0.479656    2.189616   -0.020204    0.114360    0.116550
O     0.228108    3.431405    1.847467    0.034310   -0.042156    0.014054
H     0.423317    4.267568    2.391975   -0.579426    0.496910   -0.160266
H    -0.721870    3.232203    2.243443   -0.716328    0.713502   -0.330988
O     3.580165   -2.972205    1.186113   -0.038306    0.046228   -0.016152
H     4.554773   -2.795834    0.804307    0.781008   -0.776546    0.365660
H     3.411290   -3.830492    0.648441    0.649896   -0.558276    0.180584
O     3.184091    3.382996    1.661981   -0.002862   -0.004298    0.000416
H     3.744418    4.024179    1.188999   -0.006952    0.074446    0.096948
H     2.664267    2.940266    0.968220    0.061566    0.035456   -0.076400
O     0.624105   -2.930003    1.376651    0.004800    0.003144   -0.000858
H     1.135116   -2.474956    2.069100   -0.087228   -0.002374    0.074692
H     0.058416   -3.563094    1.853542   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171659    5.493465   -3.155256    0.000056    0.000008   -0.000078
Rb    5.562174   -1.266952   -3.730064    0.000360   -0.000116    0.000014
Rb    5.408983   -1.938630    3.308583   -0.000138   -0.001598   -0.001774
Rb    4.900824    4.947497    3.658725   -0.000036    0.000264   -0.000178
Rb    1.956264   -1.347650   -0.697179   -0.004246    0.003976   -0.003828
Rb    5.219567    1.852715   -0.105159    0.000538   -0.000546   -0.000140
Rb    1.979617    2.349494   -4.303479   -0.000024    0.000142   -0.000040
Rb    1.845986    1.800712    3.735407    0.003742   -0.003578    0.003540
Rb    1.514525    5.519312    0.065385   -0.001112   -0.000302    0.000888
Rb   -1.599628    2.395833   -0.271754    0.000158    0.001558    0.001728
Rb   -1.558929    5.687239   -3.359662   -0.000050    0.000076    0.000296
Rb   -1.339402   -1.092365   -3.904655   -0.000198    0.000054   -0.000144
Rb   -1.410743   -1.402926    3.145723   -0.000364    0.000388    0.000090
Rb   -1.929964    5.432432    3.449129    0.001942   -0.002714   -0.002954
Br    5.448761    2.177152   -3.644928   -0.000014   -0.000140    0.000008
Br    5.985818   -1.503882   -0.296497   -0.001666    0.002612   -0.001960
Br    5.547138    1.538691    3.504511   -0.000594    0.000244    0.000008
Br    5.148555    5.467397    0.213731    0.000190   -0.000488    0.000038
Br    1.825568    5.787514   -3.475957    0.000330   -0.000042   -0.000322
Br    2.117483   -1.148877   -4.166317    0.000032   -0.000110    0.000480
Br    1.987908   -1.689530    3.998592   -0.000300    0.000698    0.000090
Br    1.526126    5.680544    3.706247    0.001908   -0.001082    0.001414
Br   -1.512645    2.349386   -3.859740    0.000088   -0.000350   -0.000368
Br   -1.743104   -1.082130   -0.462252    0.000542   -0.000216   -0.000114
Br   -2.168633    1.957432    3.336673    0.001474   -0.002322    0.001824
Br   -1.981689    5.880890   -0.008450   -0.000470    0.000784   -0.000860
Br    1.821715    2.142506   -0.961496    0.000426   -0.000864   -0.000074
Br   -1.826485    5.106665    6.861839    0.000144   -0.000054    0.000370
Rb    1.583559    5.095214    7.137992    0.000004    0.000304    0.000018
Br    5.006521    4.955315    7.048818    0.000042   -0.000034    0.000002
Rb   -1.751223    1.714722    6.770661   -0.000330    0.000134    0.000044
Br    1.693663    1.602415    7.204935   -0.000004    0.000042   -0.000260
Rb    5.151284    1.549018    6.947472    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730143    6.684642   -0.000004    0.000134    0.000048
Rb    1.837688   -1.897217    7.340037    0.000016   -0.000120    0.000058
Br    5.328814   -1.893419    6.898187   -0.000026    0.000364    0.000458
Rb   -1.349079   -5.047302    6.195268   -0.000018    0.000026    0.000118
Br    1.996896   -5.332838    6.508792   -0.000368    0.000034    0.000366
Rb    5.381332   -5.231558    6.394692    0.000046   -0.000092   -0.000282
Br   -1.333283   -5.018306    2.826344   -0.000132    0.000420   -0.000032
Rb    2.300357   -5.065489    2.967348    0.001564    0.000036   -0.000756
Br    5.795173   -5.423034    3.043105    0.000516   -0.000710    0.000990
Rb   -1.094801   -4.492300   -0.618127   -0.000052   -0.000290    0.000170
Br    2.281672   -5.221790   -0.672535   -0.002138    0.001356   -0.001498
Rb    5.737886   -4.976543   -0.413216   -0.002380    0.002316    0.002586
Br   -1.197174   -4.498528   -4.008105   -0.000054    0.000054    0.000042
Rb    2.225426   -4.641171   -4.105171   -0.000016   -0.000318   -0.000020
Br    5.635975   -4.658793   -3.826016   -0.000182    0.000090   -0.000340
O     0.452644    0.337320    1.432842    0.001566    0.004270   -0.001098
H     0.940446    0.940966    0.849434   -0.001272   -0.088906   -0.107882
H    -0.241694   -0.050628    0.870681   -0.095872    0.014916    0.106360
O     3.357571    0.116377    1.605221   -0.000670   -0.004540    0.000552
H     4.049296    0.506708    2.168994    0.101290   -0.017546   -0.109676
H     2.861139   -0.478568    2.190725   -0.020204    0.114360    0.116550
O     0.228434    3.431004    1.847601    0.034310   -0.042156    0.014054
H     0.417805    4.272295    2.390450   -0.579426    0.496910   -0.160266
H    -0.728685    3.238992    2.240294   -0.716328    0.713502   -0.330988
O     3.579801   -2.971765    1.185959   -0.038306    0.046228   -0.016152
H     4.562204   -2.803223    0.807786    0.781008   -0.776546    0.365660
H     3.417474   -3.835803    0.650160    0.649896   -0.558276    0.180584
O     3.184064    3.382955    1.661985   -0.002862   -0.004298    0.000416
H     3.744352    4.024887    1.189922   -0.006952    0.074446    0.096948
H     2.664853    2.940603    0.967493    0.061566    0.035456   -0.076400
O     0.624150   -2.929973    1.376643    0.004800    0.003144   -0.000858
H     1.134286   -2.474979    2.069811   -0.087228   -0.002374    0.074692
H     0.058267   -3.563531    1.852698   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171657    5.493465   -3.155254    0.000056    0.000008   -0.000078
Rb    5.562163   -1.266949   -3.730065    0.000360   -0.000116    0.000014
Rb    5.408987   -1.938585    3.308633   -0.000138   -0.001598   -0.001774
Rb    4.900825    4.947490    3.658730   -0.000036    0.000264   -0.000178
Rb    1.956384   -1.347763   -0.697071   -0.004246    0.003976   -0.003828
Rb    5.219551    1.852730   -0.105155    0.000538   -0.000546   -0.000140
Rb    1.979617    2.349490   -4.303478   -0.000024    0.000142   -0.000040
Rb    1.845880    1.800813    3.735307    0.003742   -0.003578    0.003540
Rb    1.514557    5.519320    0.065360   -0.001112   -0.000302    0.000888
Rb   -1.599632    2.395789   -0.271803    0.000158    0.001558    0.001728
Rb   -1.558928    5.687236   -3.359670   -0.000050    0.000076    0.000296
Rb   -1.339396   -1.092367   -3.904651   -0.000198    0.000054   -0.000144
Rb   -1.410733   -1.402937    3.145721   -0.000364    0.000388    0.000090
Rb   -1.930019    5.432509    3.449212    0.001942   -0.002714   -0.002954
Br    5.448762    2.177156   -3.644928   -0.000014   -0.000140    0.000008
Br    5.985865   -1.503956   -0.296441   -0.001666    0.002612   -0.001960
Br    5.547155    1.538684    3.504511   -0.000594    0.000244    0.000008
Br    5.148550    5.467411    0.213730    0.000190   -0.000488    0.000038
Br    1.825559    5.787516   -3.475948    0.000330   -0.000042   -0.000322
Br    2.117482   -1.148874   -4.166330    0.000032   -0.000110    0.000480
Br    1.987917   -1.689549    3.998590   -0.000300    0.000698    0.000090
Br    1.526072    5.680574    3.706207    0.001908   -0.001082    0.001414
Br   -1.512648    2.349396   -3.859730    0.000088   -0.000350   -0.000368
Br   -1.743119   -1.082124   -0.462249    0.000542   -0.000216   -0.000114
Br   -2.168675    1.957498    3.336622    0.001474   -0.002322    0.001824
Br   -1.981676    5.880868   -0.008426   -0.000470    0.000784   -0.000860
Br    1.821703    2.142530   -0.961494    0.000426   -0.000864   -0.000074
Br   -1.826489    5.106667    6.861829    0.000144   -0.000054    0.000370
Rb    1.583559    5.095205    7.137992    0.000004    0.000304    0.000018
Br    5.006519    4.955316    7.048818    0.000042   -0.000034    0.000002
Rb   -1.751214    1.714718    6.770660   -0.000330    0.000134    0.000044
Br    1.693663    1.602413    7.204943   -0.000004    0.000042   -0.000260
Rb    5.151279    1.549019    6.947468    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730147    6.684640   -0.000004    0.000134    0.000048
Rb    1.837687   -1.897213    7.340036    0.000016   -0.000120    0.000058
Br    5.328815   -1.893429    6.898174   -0.000026    0.000364    0.000458
Rb   -1.349079   -5.047303    6.195265   -0.000018    0.000026    0.000118
Br    1.996906   -5.332839    6.508781   -0.000368    0.000034    0.000366
Rb    5.381331   -5.231555    6.394700    0.000046   -0.000092   -0.000282
Br   -1.333279   -5.018317    2.826345   -0.000132    0.000420   -0.000032
Rb    2.300312   -5.065490    2.967370    0.001564    0.000036   -0.000756
Br    5.795158   -5.423014    3.043077    0.000516   -0.000710    0.000990
Rb   -1.094800   -4.492292   -0.618132   -0.000052   -0.000290    0.000170
Br    2.281733   -5.221828   -0.672492   -0.002138    0.001356   -0.001498
Rb    5.737953   -4.976609   -0.413289   -0.002380    0.002316    0.002586
Br   -1.197172   -4.498530   -4.008107   -0.000054    0.000054    0.000042
Rb    2.225427   -4.641162   -4.105170   -0.000016   -0.000318   -0.000020
Br    5.635980   -4.658795   -3.826006   -0.000182    0.000090   -0.000340
O     0.452600    0.337200    1.432873    0.001566    0.004270   -0.001098
H     0.940482    0.943481    0.852486   -0.001272   -0.088906   -0.107882
H    -0.238982   -0.051050    0.867673   -0.095872    0.014916    0.106360
O     3.357590    0.116506    1.605205   -0.000670   -0.004540    0.000552
H     4.046432    0.507204    2.172096    0.101290   -0.017546   -0.109676
H     2.861710   -0.481802    2.187429   -0.020204    0.114360    0.116550
O     0.227464    3.432196    1.847204    0.034310   -0.042156    0.014054
H     0.434193    4.258241    2.394983   -0.579426    0.496910   -0.160266
H    -0.708425    3.218811    2.249656   -0.716328    0.713502   -0.330988
O     3.580884   -2.973073    1.186416   -0.038306    0.046228   -0.016152
H     4.540114   -2.781259    0.797444    0.781008   -0.776546    0.365660
H     3.399092   -3.820013    0.645052    0.649896   -0.558276    0.180584
O     3.184145    3.383076    1.661973   -0.002862   -0.004298    0.000416
H     3.744549    4.022781    1.187180   -0.006952    0.074446    0.096948
H     2.663111    2.939600    0.969654    0.061566    0.035456   -0.076400
O     0.624014   -2.930062    1.376667    0.004800    0.003144   -0.000858
H     1.136754   -2.474912    2.067698   -0.087228   -0.002374    0.074692
H     0.058709   -3.562230    1.855207   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171653    5.493464   -3.155249    0.000056    0.000008   -0.000078
Rb    5.562141   -1.266942   -3.730065    0.000360   -0.000116    0.000014
Rb    5.408995   -1.938484    3.308745   -0.000138   -0.001598   -0.001774
Rb    4.900828    4.947473    3.658741   -0.000036    0.000264   -0.000178
Rb    1.956652   -1.348013   -0.696830   -0.004246    0.003976   -0.003828
Rb    5.219518    1.852764   -0.105146    0.000538   -0.000546   -0.000140
Rb    1.979619    2.349481   -4.303475   -0.000024    0.000142   -0.000040
Rb    1.845645    1.801039    3.735084    0.003742   -0.003578    0.003540
Rb    1.514627    5.519339    0.065304   -0.001112   -0.000302    0.000888
Rb   -1.599642    2.395691   -0.271912    0.000158    0.001558    0.001728
Rb   -1.558925    5.687232   -3.359689   -0.000050    0.000076    0.000296
Rb   -1.339384   -1.092370   -3.904642   -0.000198    0.000054   -0.000144
Rb   -1.410710   -1.402961    3.145715   -0.000364    0.000388    0.000090
Rb   -1.930141    5.432680    3.449398    0.001942   -0.002714   -0.002954
Br    5.448762    2.177165   -3.644929   -0.000014   -0.000140    0.000008
Br    5.985970   -1.504120   -0.296318   -0.001666    0.002612   -0.001960
Br    5.547192    1.538669    3.504510   -0.000594    0.000244    0.000008
Br    5.148538    5.467441    0.213728    0.000190   -0.000488    0.000038
Br    1.825538    5.787518   -3.475928    0.000330   -0.000042   -0.000322
Br    2.117480   -1.148867   -4.166360    0.000032   -0.000110    0.000480
Br    1.987936   -1.689593    3.998584   -0.000300    0.000698    0.000090
Br    1.525951    5.680642    3.706118    0.001908   -0.001082    0.001414
Br   -1.512653    2.349418   -3.859707    0.000088   -0.000350   -0.000368
Br   -1.743153   -1.082111   -0.462241    0.000542   -0.000216   -0.000114
Br   -2.168767    1.957644    3.336507    0.001474   -0.002322    0.001824
Br   -1.981646    5.880819   -0.008371   -0.000470    0.000784   -0.000860
Br    1.821676    2.142585   -0.961489    0.000426   -0.000864   -0.000074
Br   -1.826498    5.106670    6.861805    0.000144   -0.000054    0.000370
Rb    1.583559    5.095186    7.137991    0.000004    0.000304    0.000018
Br    5.006517    4.955318    7.048818    0.000042   -0.000034    0.000002
Rb   -1.751193    1.714710    6.770657   -0.000330    0.000134    0.000044
Br    1.693663    1.602411    7.204959   -0.000004    0.000042   -0.000260
Rb    5.151269    1.549021    6.947459    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730155    6.684637   -0.000004    0.000134    0.000048
Rb    1.837686   -1.897206    7.340032    0.000016   -0.000120    0.000058
Br    5.328816   -1.893452    6.898145   -0.000026    0.000364    0.000458
Rb   -1.349078   -5.047304    6.195257   -0.000018    0.000026    0.000118
Br    1.996929   -5.332841    6.508758   -0.000368    0.000034    0.000366
Rb    5.381328   -5.231550    6.394717    0.000046   -0.000092   -0.000282
Br   -1.333271   -5.018344    2.826347   -0.000132    0.000420   -0.000032
Rb    2.300214   -5.065493    2.967417    0.001564    0.000036   -0.000756
Br    5.795126   -5.422969    3.043015    0.000516   -0.000710    0.000990
Rb   -1.094796   -4.492274   -0.618142   -0.000052   -0.000290    0.000170
Br    2.281867   -5.221914   -0.672398   -0.002138    0.001356   -0.001498
Rb    5.738103   -4.976755   -0.413452   -0.002380    0.002316    0.002586
Br   -1.197169   -4.498533   -4.008109   -0.000054    0.000054    0.000042
Rb    2.225428   -4.641142   -4.105169   -0.000016   -0.000318   -0.000020
Br    5.635991   -4.658801   -3.825985   -0.000182    0.000090   -0.000340
O     0.452501    0.336931    1.432942    0.001566    0.004270   -0.001098
H     0.940562    0.949083    0.859284   -0.001272   -0.088906   -0.107882
H    -0.232940   -0.051990    0.860970   -0.095872    0.014916    0.106360
O     3.357632    0.116792    1.605170   -0.000670   -0.004540    0.000552
H     4.040049    0.508310    2.179007    0.101290   -0.017546   -0.109676
H     2.862983   -0.489009    2.180084   -0.020204    0.114360    0.116550
O     0.225302    3.434853    1.846318    0.034310   -0.042156    0.014054
H     0.470707    4.226927    2.405083   -0.579426    0.496910   -0.160266
H    -0.663284    3.173848    2.270513   -0.716328    0.713502   -0.330988
O     3.583298   -2.975986    1.187434   -0.038306    0.046228   -0.016152
H     4.490897   -2.732323    0.774401    0.781008   -0.776546    0.365660
H     3.358137   -3.784832    0.633672    0.649896   -0.558276    0.180584
O     3.184325    3.383347    1.661947   -0.002862   -0.004298    0.000416
H     3.744987    4.018090    1.181070   -0.006952    0.074446    0.096948
H     2.659231    2.937366    0.974469    0.061566    0.035456   -0.076400
O     0.623712   -2.930260    1.376721    0.004800    0.003144   -0.000858
H     1.142250   -2.474762    2.062991   -0.087228   -0.002374    0.074692
H     0.059694   -3.559332    1.860797   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171648    5.493463   -3.155242    0.000056    0.000008   -0.000078
Rb    5.562108   -1.266931   -3.730067    0.000360   -0.000116    0.000014
Rb    5.409008   -1.938339    3.308906   -0.000138   -0.001598   -0.001774
Rb    4.900831    4.947449    3.658757   -0.000036    0.000264   -0.000178
Rb    1.957038   -1.348375   -0.696482   -0.004246    0.003976   -0.003828
Rb    5.219469    1.852814   -0.105133    0.000538   -0.000546   -0.000140
Rb    1.979621    2.349468   -4.303472   -0.000024    0.000142   -0.000040
Rb    1.845304    1.801364    3.734762    0.003742   -0.003578    0.003540
Rb    1.514728    5.519367    0.065223   -0.001112   -0.000302    0.000888
Rb   -1.599657    2.395550   -0.272069    0.000158    0.001558    0.001728
Rb   -1.558920    5.687225   -3.359716   -0.000050    0.000076    0.000296
Rb   -1.339366   -1.092375   -3.904629   -0.000198    0.000054   -0.000144
Rb   -1.410677   -1.402996    3.145707   -0.000364    0.000388    0.000090
Rb   -1.930317    5.432927    3.449667    0.001942   -0.002714   -0.002954
Br    5.448764    2.177178   -3.644930   -0.000014   -0.000140    0.000008
Br    5.986121   -1.504358   -0.296139   -0.001666    0.002612   -0.001960
Br    5.547246    1.538647    3.504509   -0.000594    0.000244    0.000008
Br    5.148521    5.467486    0.213724    0.000190   -0.000488    0.000038
Br    1.825508    5.787522   -3.475899    0.000330   -0.000042   -0.000322
Br    2.117477   -1.148857   -4.166404    0.000032   -0.000110    0.000480
Br    1.987963   -1.689657    3.998576   -0.000300    0.000698    0.000090
Br    1.525778    5.680741    3.705990    0.001908   -0.001082    0.001414
Br   -1.512661    2.349450   -3.859673    0.000088   -0.000350   -0.000368
Br   -1.743203   -1.082091   -0.462231    0.000542   -0.000216   -0.000114
Br   -2.168901    1.957855    3.336341    0.001474   -0.002322    0.001824
Br   -1.981603    5.880748   -0.008293   -0.000470    0.000784   -0.000860
Br    1.821637    2.142663   -0.961482    0.000426   -0.000864   -0.000074
Br   -1.826511    5.106675    6.861772    0.000144   -0.000054    0.000370
Rb    1.583559    5.095159    7.137989    0.000004    0.000304    0.000018
Br    5.006513    4.955321    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751163    1.714697    6.770653   -0.000330    0.000134    0.000044
Br    1.693663    1.602407    7.204983   -0.000004    0.000042   -0.000260
Rb    5.151255    1.549024    6.947446    0.000160   -0.000034    0.000144
Br   -1.634518   -1.730168    6.684633   -0.000004    0.000134    0.000048
Rb    1.837685   -1.897195    7.340027    0.000016   -0.000120    0.000058
Br    5.328819   -1.893485    6.898103   -0.000026    0.000364    0.000458
Rb   -1.349076   -5.047307    6.195247   -0.000018    0.000026    0.000118
Br    1.996963   -5.332844    6.508725   -0.000368    0.000034    0.000366
Rb    5.381324   -5.231541    6.394743    0.000046   -0.000092   -0.000282
Br   -1.333259   -5.018382    2.826350   -0.000132    0.000420   -0.000032
Rb    2.300072   -5.065496    2.967486    0.001564    0.000036   -0.000756
Br    5.795079   -5.422904    3.042925    0.000516   -0.000710    0.000990
Rb   -1.094792   -4.492247   -0.618158   -0.000052   -0.000290    0.000170
Br    2.282062   -5.222037   -0.672262   -0.002138    0.001356   -0.001498
Rb    5.738320   -4.976965   -0.413687   -0.002380    0.002316    0.002586
Br   -1.197164   -4.498538   -4.008113   -0.000054    0.000054    0.000042
Rb    2.225429   -4.641113   -4.105167   -0.000016   -0.000318   -0.000020
Br    5.636008   -4.658809   -3.825954   -0.000182    0.000090   -0.000340
O     0.452359    0.336542    1.433042    0.001566    0.004270   -0.001098
H     0.940678    0.957167    0.869093   -0.001272   -0.088906   -0.107882
H    -0.224224   -0.053346    0.851300   -0.095872    0.014916    0.106360
O     3.357693    0.117205    1.605120   -0.000670   -0.004540    0.000552
H     4.030839    0.509905    2.188979    0.101290   -0.017546   -0.109676
H     2.864820   -0.499407    2.169487   -0.020204    0.114360    0.116550
O     0.222182    3.438686    1.845040    0.034310   -0.042156    0.014054
H     0.523389    4.181747    2.419655   -0.579426    0.496910   -0.160266
H    -0.598154    3.108975    2.300607   -0.716328    0.713502   -0.330988
O     3.586781   -2.980189    1.188902   -0.038306    0.046228   -0.016152
H     4.419887   -2.661718    0.741154    0.781008   -0.776546    0.365660
H     3.299048   -3.734073    0.617253    0.649896   -0.558276    0.180584
O     3.184585    3.383738    1.661909   -0.002862   -0.004298    0.000416
H     3.745619    4.011321    1.172256   -0.006952    0.074446    0.096948
H     2.653634    2.934142    0.981415    0.061566    0.035456   -0.076400
O     0.623276   -2.930546    1.376799    0.004800    0.003144   -0.000858
H     1.150181   -2.474546    2.056200   -0.087228   -0.002374    0.074692
H     0.061116   -3.555150    1.868863   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171642    5.493462   -3.155233    0.000056    0.000008   -0.000078
Rb    5.562069   -1.266919   -3.730068    0.000360   -0.000116    0.000014
Rb    5.409023   -1.938165    3.309100   -0.000138   -0.001598   -0.001774
Rb    4.900835    4.947420    3.658777   -0.000036    0.000264   -0.000178
Rb    1.957500   -1.348808   -0.696065   -0.004246    0.003976   -0.003828
Rb    5.219410    1.852874   -0.105118    0.000538   -0.000546   -0.000140
Rb    1.979624    2.349452   -4.303467   -0.000024    0.000142   -0.000040
Rb    1.844897    1.801754    3.734376    0.003742   -0.003578    0.003540
Rb    1.514849    5.519400    0.065126   -0.001112   -0.000302    0.000888
Rb   -1.599674    2.395380   -0.272257    0.000158    0.001558    0.001728
Rb   -1.558915    5.687216   -3.359748   -0.000050    0.000076    0.000296
Rb   -1.339344   -1.092381   -3.904613   -0.000198    0.000054   -0.000144
Rb   -1.410637   -1.403039    3.145697   -0.000364    0.000388    0.000090
Rb   -1.930529    5.433223    3.449989    0.001942   -0.002714   -0.002954
Br    5.448765    2.177193   -3.644931   -0.000014   -0.000140    0.000008
Br    5.986303   -1.504643   -0.295926   -0.001666    0.002612   -0.001960
Br    5.547311    1.538620    3.504508   -0.000594    0.000244    0.000008
Br    5.148500    5.467539    0.213720    0.000190   -0.000488    0.000038
Br    1.825472    5.787527   -3.475864    0.000330   -0.000042   -0.000322
Br    2.117474   -1.148845   -4.166456    0.000032   -0.000110    0.000480
Br    1.987996   -1.689733    3.998566   -0.000300    0.000698    0.000090
Br    1.525570    5.680859    3.705835    0.001908   -0.001082    0.001414
Br   -1.512671    2.349488   -3.859633    0.000088   -0.000350   -0.000368
Br   -1.743262   -1.082067   -0.462219    0.000542   -0.000216   -0.000114
Br   -2.169062    1.958108    3.336142    0.001474   -0.002322    0.001824
Br   -1.981552    5.880662   -0.008200   -0.000470    0.000784   -0.000860
Br    1.821591    2.142757   -0.961474    0.000426   -0.000864   -0.000074
Br   -1.826527    5.106681    6.861731    0.000144   -0.000054    0.000370
Rb    1.583558    5.095126    7.137987    0.000004    0.000304    0.000018
Br    5.006508    4.955325    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751127    1.714683    6.770649   -0.000330    0.000134    0.000044
Br    1.693664    1.602402    7.205011   -0.000004    0.000042   -0.000260
Rb    5.151237    1.549028    6.947430    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730182    6.684628   -0.000004    0.000134    0.000048
Rb    1.837683   -1.897182    7.340020    0.000016   -0.000120    0.000058
Br    5.328822   -1.893525    6.898053   -0.000026    0.000364    0.000458
Rb   -1.349074   -5.047310    6.195234   -0.000018    0.000026    0.000118
Br    1.997003   -5.332848    6.508685   -0.000368    0.000034    0.000366
Rb    5.381319   -5.231531    6.394774    0.000046   -0.000092   -0.000282
Br   -1.333245   -5.018428    2.826353   -0.000132    0.000420   -0.000032
Rb    2.299901   -5.065500    2.967568    0.001564    0.000036   -0.000756
Br    5.795023   -5.422827    3.042817    0.000516   -0.000710    0.000990
Rb   -1.094786   -4.492216   -0.618176   -0.000052   -0.000290    0.000170
Br    2.282295   -5.222185   -0.672098   -0.002138    0.001356   -0.001498
Rb    5.738579   -4.977218   -0.413969   -0.002380    0.002316    0.002586
Br   -1.197158   -4.498544   -4.008118   -0.000054    0.000054    0.000042
Rb    2.225431   -4.641078   -4.105165   -0.000016   -0.000318   -0.000020
Br    5.636028   -4.658819   -3.825917   -0.000182    0.000090   -0.000340
O     0.452188    0.336077    1.433162    0.001566    0.004270   -0.001098
H     0.940817    0.966855    0.880849   -0.001272   -0.088906   -0.107882
H    -0.213776   -0.054972    0.839709   -0.095872    0.014916    0.106360
O     3.357766    0.117699    1.605060   -0.000670   -0.004540    0.000552
H     4.019801    0.511817    2.200931    0.101290   -0.017546   -0.109676
H     2.867022   -0.511869    2.156786   -0.020204    0.114360    0.116550
O     0.218444    3.443279    1.843509    0.034310   -0.042156    0.014054
H     0.586531    4.127597    2.437119   -0.579426    0.496910   -0.160266
H    -0.520093    3.031222    2.336676   -0.716328    0.713502   -0.330988
O     3.590955   -2.985227    1.190663   -0.038306    0.046228   -0.016152
H     4.334777   -2.577095    0.701307    0.781008   -0.776546    0.365660
H     3.228226   -3.673235    0.597574    0.649896   -0.558276    0.180584
O     3.184897    3.384206    1.661864   -0.002862   -0.004298    0.000416
H     3.746377    4.003209    1.161691   -0.006952    0.074446    0.096948
H     2.646925    2.930279    0.989741    0.061566    0.035456   -0.076400
O     0.622753   -2.930889    1.376893    0.004800    0.003144   -0.000858
H     1.159687   -2.474288    2.048061   -0.087228   -0.002374    0.074692
H     0.062819   -3.550139    1.878530   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171636    5.493462   -3.155225    0.000056    0.000008   -0.000078
Rb    5.562027   -1.266905   -3.730070    0.000360   -0.000116    0.000014
Rb    5.409039   -1.937981    3.309304   -0.000138   -0.001598   -0.001774
Rb    4.900839    4.947390    3.658797   -0.000036    0.000264   -0.000178
Rb    1.957990   -1.349266   -0.695623   -0.004246    0.003976   -0.003828
Rb    5.219348    1.852936   -0.105102    0.000538   -0.000546   -0.000140
Rb    1.979626    2.349436   -4.303463   -0.000024    0.000142   -0.000040
Rb    1.844465    1.802166    3.733968    0.003742   -0.003578    0.003540
Rb    1.514977    5.519434    0.065024   -0.001112   -0.000302    0.000888
Rb   -1.599692    2.395200   -0.272457    0.000158    0.001558    0.001728
Rb   -1.558909    5.687208   -3.359782   -0.000050    0.000076    0.000296
Rb   -1.339322   -1.092387   -3.904597   -0.000198    0.000054   -0.000144
Rb   -1.410595   -1.403083    3.145687   -0.000364    0.000388    0.000090
Rb   -1.930753    5.433535    3.450329    0.001942   -0.002714   -0.002954
Br    5.448767    2.177209   -3.644931   -0.000014   -0.000140    0.000008
Br    5.986495   -1.504943   -0.295700   -0.001666    0.002612   -0.001960
Br    5.547379    1.538592    3.504508   -0.000594    0.000244    0.000008
Br    5.148478    5.467595    0.213716    0.000190   -0.000488    0.000038
Br    1.825434    5.787531   -3.475826    0.000330   -0.000042   -0.000322
Br    2.117470   -1.148833   -4.166512    0.000032   -0.000110    0.000480
Br    1.988030   -1.689813    3.998556   -0.000300    0.000698    0.000090
Br    1.525350    5.680983    3.705673    0.001908   -0.001082    0.001414
Br   -1.512681    2.349528   -3.859591    0.000088   -0.000350   -0.000368
Br   -1.743324   -1.082043   -0.462205    0.000542   -0.000216   -0.000114
Br   -2.169232    1.958376    3.335932    0.001474   -0.002322    0.001824
Br   -1.981498    5.880572   -0.008100   -0.000470    0.000784   -0.000860
Br    1.821541    2.142857   -0.961466    0.000426   -0.000864   -0.000074
Br   -1.826543    5.106687    6.861689    0.000144   -0.000054    0.000370
Rb    1.583558    5.095090    7.137985    0.000004    0.000304    0.000018
Br    5.006504    4.955329    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751089    1.714667    6.770643   -0.000330    0.000134    0.000044
Br    1.693664    1.602398    7.205041   -0.000004    0.000042   -0.000260
Rb    5.151219    1.549032    6.947414    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730198    6.684622   -0.000004    0.000134    0.000048
Rb    1.837681   -1.897168    7.340014    0.000016   -0.000120    0.000058
Br    5.328824   -1.893567    6.898001   -0.000026    0.000364    0.000458
Rb   -1.349072   -5.047312    6.195220   -0.000018    0.000026    0.000118
Br    1.997045   -5.332852    6.508643   -0.000368    0.000034    0.000366
Rb    5.381313   -5.231521    6.394806    0.000046   -0.000092   -0.000282
Br   -1.333229   -5.018476    2.826357   -0.000132    0.000420   -0.000032
Rb    2.299721   -5.065504    2.967656    0.001564    0.000036   -0.000756
Br    5.794963   -5.422745    3.042703    0.000516   -0.000710    0.000990
Rb   -1.094780   -4.492182   -0.618196   -0.000052   -0.000290    0.000170
Br    2.282541   -5.222341   -0.671926   -0.002138    0.001356   -0.001498
Rb    5.738853   -4.977484   -0.414267   -0.002380    0.002316    0.002586
Br   -1.197152   -4.498550   -4.008122   -0.000054    0.000054    0.000042
Rb    2.225433   -4.641042   -4.105163   -0.000016   -0.000318   -0.000020
Br    5.636048   -4.658829   -3.825877   -0.000182    0.000090   -0.000340
O     0.452008    0.335585    1.433288    0.001566    0.004270   -0.001098
H     0.940963    0.977099    0.893279   -0.001272   -0.088906   -0.107882
H    -0.202730   -0.056690    0.827455   -0.095872    0.014916    0.106360
O     3.357844    0.118223    1.604996   -0.000670   -0.004540    0.000552
H     4.008131    0.513839    2.213567    0.101290   -0.017546   -0.109676
H     2.869350   -0.525045    2.143358   -0.020204    0.114360    0.116550
O     0.214490    3.448137    1.841889    0.034310   -0.042156    0.014054
H     0.653291    4.070345    2.455585   -0.579426    0.496910   -0.160266
H    -0.437561    2.949016    2.374812   -0.716328    0.713502   -0.330988
O     3.595369   -2.990553    1.192523   -0.038306    0.046228   -0.016152
H     4.244793   -2.487625    0.659177    0.781008   -0.776546    0.365660
H     3.153348   -3.608913    0.576768    0.649896   -0.558276    0.180584
O     3.185227    3.384702    1.661816   -0.002862   -0.004298    0.000416
H     3.747177    3.994631    1.150521   -0.006952    0.074446    0.096948
H     2.639831    2.926193    0.998543    0.061566    0.035456   -0.076400
O     0.622199   -2.931251    1.376991    0.004800    0.003144   -0.000858
H     1.169737   -2.474014    2.039455   -0.087228   -0.002374    0.074692
H     0.064621   -3.544839    1.888752   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171630    5.493461   -3.155216    0.000056    0.000008   -0.000078
Rb    5.561988   -1.266893   -3.730071    0.000360   -0.000116    0.000014
Rb    5.409054   -1.937807    3.309498   -0.000138   -0.001598   -0.001774
Rb    4.900843    4.947361    3.658817   -0.000036    0.000264   -0.000178
Rb    1.958452   -1.349699   -0.695206   -0.004246    0.003976   -0.003828
Rb    5.219289    1.852996   -0.105087    0.000538   -0.000546   -0.000140
Rb    1.979629    2.349420   -4.303458   -0.000024    0.000142   -0.000040
Rb    1.844058    1.802556    3.733582    0.003742   -0.003578    0.003540
Rb    1.515098    5.519467    0.064927   -0.001112   -0.000302    0.000888
Rb   -1.599709    2.395030   -0.272645    0.000158    0.001558    0.001728
Rb   -1.558904    5.687199   -3.359814   -0.000050    0.000076    0.000296
Rb   -1.339300   -1.092393   -3.904581   -0.000198    0.000054   -0.000144
Rb   -1.410555   -1.403126    3.145677   -0.000364    0.000388    0.000090
Rb   -1.930965    5.433831    3.450651    0.001942   -0.002714   -0.002954
Br    5.448768    2.177224   -3.644932   -0.000014   -0.000140    0.000008
Br    5.986677   -1.505228   -0.295487   -0.001666    0.002612   -0.001960
Br    5.547444    1.538565    3.504507   -0.000594    0.000244    0.000008
Br    5.148457    5.467648    0.213712    0.000190   -0.000488    0.000038
Br    1.825398    5.787536   -3.475791    0.000330   -0.000042   -0.000322
Br    2.117467   -1.148821   -4.166564    0.000032   -0.000110    0.000480
Br    1.988063   -1.689889    3.998546   -0.000300    0.000698    0.000090
Br    1.525142    5.681101    3.705518    0.001908   -0.001082    0.001414
Br   -1.512691    2.349566   -3.859551    0.000088   -0.000350   -0.000368
Br   -1.743383   -1.082019   -0.462193    0.000542   -0.000216   -0.000114
Br   -2.169393    1.958629    3.335733    0.001474   -0.002322    0.001824
Br   -1.981447    5.880486   -0.008007   -0.000470    0.000784   -0.000860
Br    1.821495    2.142951   -0.961458    0.000426   -0.000864   -0.000074
Br   -1.826559    5.106693    6.861648    0.000144   -0.000054    0.000370
Rb    1.583557    5.095057    7.137983    0.000004    0.000304    0.000018
Br    5.006499    4.955333    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751053    1.714653    6.770639   -0.000330    0.000134    0.000044
Br    1.693665    1.602393    7.205069   -0.000004    0.000042   -0.000260
Rb    5.151201    1.549036    6.947398    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730212    6.684617   -0.000004    0.000134    0.000048
Rb    1.837679   -1.897155    7.340007    0.000016   -0.000120    0.000058
Br    5.328827   -1.893607    6.897951   -0.000026    0.000364    0.000458
Rb   -1.349070   -5.047315    6.195207   -0.000018    0.000026    0.000118
Br    1.997085   -5.332856    6.508603   -0.000368    0.000034    0.000366
Rb    5.381308   -5.231511    6.394837    0.000046   -0.000092   -0.000282
Br   -1.333215   -5.018522    2.826360   -0.000132    0.000420   -0.000032
Rb    2.299550   -5.065508    2.967738    0.001564    0.000036   -0.000756
Br    5.794907   -5.422668    3.042595    0.000516   -0.000710    0.000990
Rb   -1.094774   -4.492151   -0.618214   -0.000052   -0.000290    0.000170
Br    2.282774   -5.222489   -0.671762   -0.002138    0.001356   -0.001498
Rb    5.739112   -4.977737   -0.414549   -0.002380    0.002316    0.002586
Br   -1.197146   -4.498556   -4.008127   -0.000054    0.000054    0.000042
Rb    2.225435   -4.641007   -4.105161   -0.000016   -0.000318   -0.000020
Br    5.636068   -4.658839   -3.825840   -0.000182    0.000090   -0.000340
O     0.451837    0.335120    1.433408    0.001566    0.004270   -0.001098
H     0.941102    0.986787    0.905035   -0.001272   -0.088906   -0.107882
H    -0.192282   -0.058316    0.815864   -0.095872    0.014916    0.106360
O     3.357917    0.118717    1.604936   -0.000670   -0.004540    0.000552
H     3.997093    0.515751    2.225519    0.101290   -0.017546   -0.109676
H     2.871552   -0.537507    2.130657   -0.020204    0.114360    0.116550
O     0.210752    3.452730    1.840358    0.034310   -0.042156    0.014054
H     0.716433    4.016195    2.473049   -0.579426    0.496910   -0.160266
H    -0.359500    2.871263    2.410881   -0.716328    0.713502   -0.330988
O     3.599543   -2.995591    1.194284   -0.038306    0.046228   -0.016152
H     4.159683   -2.403002    0.619330    0.781008   -0.776546    0.365660
H     3.082526   -3.548075    0.557089    0.649896   -0.558276    0.180584
O     3.185539    3.385170    1.661771   -0.002862   -0.004298    0.000416
H     3.747935    3.986519    1.139956   -0.006952    0.074446    0.096948
H     2.633122    2.922330    1.006869    0.061566    0.035456   -0.076400
O     0.621676   -2.931594    1.377085    0.004800    0.003144   -0.000858
H     1.179243   -2.473756    2.031316   -0.087228   -0.002374    0.074692
H     0.066324   -3.539828    1.898419   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171625    5.493460   -3.155209    0.000056    0.000008   -0.000078
Rb    5.561955   -1.266882   -3.730073    0.000360   -0.000116    0.000014
Rb    5.409067   -1.937662    3.309659   -0.000138   -0.001598   -0.001774
Rb    4.900846    4.947337    3.658833   -0.000036    0.000264   -0.000178
Rb    1.958838   -1.350061   -0.694858   -0.004246    0.003976   -0.003828
Rb    5.219240    1.853046   -0.105074    0.000538   -0.000546   -0.000140
Rb    1.979631    2.349407   -4.303455   -0.000024    0.000142   -0.000040
Rb    1.843717    1.802881    3.733260    0.003742   -0.003578    0.003540
Rb    1.515199    5.519495    0.064846   -0.001112   -0.000302    0.000888
Rb   -1.599724    2.394889   -0.272802    0.000158    0.001558    0.001728
Rb   -1.558899    5.687192   -3.359841   -0.000050    0.000076    0.000296
Rb   -1.339282   -1.092398   -3.904568   -0.000198    0.000054   -0.000144
Rb   -1.410522   -1.403161    3.145669   -0.000364    0.000388    0.000090
Rb   -1.931141    5.434078    3.450920    0.001942   -0.002714   -0.002954
Br    5.448770    2.177237   -3.644933   -0.000014   -0.000140    0.000008
Br    5.986828   -1.505466   -0.295308   -0.001666    0.002612   -0.001960
Br    5.547498    1.538543    3.504506   -0.000594    0.000244    0.000008
Br    5.148440    5.467693    0.213708    0.000190   -0.000488    0.000038
Br    1.825368    5.787540   -3.475762    0.000330   -0.000042   -0.000322
Br    2.117464   -1.148811   -4.166608    0.000032   -0.000110    0.000480
Br    1.988090   -1.689953    3.998538   -0.000300    0.000698    0.000090
Br    1.524969    5.681200    3.705390    0.001908   -0.001082    0.001414
Br   -1.512699    2.349598   -3.859517    0.000088   -0.000350   -0.000368
Br   -1.743433   -1.081999   -0.462183    0.000542   -0.000216   -0.000114
Br   -2.169527    1.958840    3.335567    0.001474   -0.002322    0.001824
Br   -1.981404    5.880415   -0.007929   -0.000470    0.000784   -0.000860
Br    1.821456    2.143029   -0.961451    0.000426   -0.000864   -0.000074
Br   -1.826572    5.106698    6.861615    0.000144   -0.000054    0.000370
Rb    1.583557    5.095030    7.137981    0.000004    0.000304    0.000018
Br    5.006495    4.955336    7.048816    0.000042   -0.000034    0.000002
Rb   -1.751023    1.714640    6.770635   -0.000330    0.000134    0.000044
Br    1.693665    1.602389    7.205093   -0.000004    0.000042   -0.000260
Rb    5.151187    1.549039    6.947385    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730225    6.684613   -0.000004    0.000134    0.000048
Rb    1.837678   -1.897144    7.340002    0.000016   -0.000120    0.000058
Br    5.328830   -1.893640    6.897909   -0.000026    0.000364    0.000458
Rb   -1.349068   -5.047318    6.195197   -0.000018    0.000026    0.000118
Br    1.997119   -5.332859    6.508570   -0.000368    0.000034    0.000366
Rb    5.381304   -5.231502    6.394863    0.000046   -0.000092   -0.000282
Br   -1.333203   -5.018560    2.826363   -0.000132    0.000420   -0.000032
Rb    2.299408   -5.065511    2.967807    0.001564    0.000036   -0.000756
Br    5.794860   -5.422603    3.042505    0.000516   -0.000710    0.000990
Rb   -1.094770   -4.492124   -0.618230   -0.000052   -0.000290    0.000170
Br    2.282969   -5.222612   -0.671626   -0.002138    0.001356   -0.001498
Rb    5.739329   -4.977947   -0.414784   -0.002380    0.002316    0.002586
Br   -1.197141   -4.498561   -4.008131   -0.000054    0.000054    0.000042
Rb    2.225436   -4.640978   -4.105159   -0.000016   -0.000318   -0.000020
Br    5.636085   -4.658847   -3.825809   -0.000182    0.000090   -0.000340
O     0.451695    0.334731    1.433508    0.001566    0.004270   -0.001098
H     0.941218    0.994871    0.914844   -0.001272   -0.088906   -0.107882
H    -0.183566   -0.059672    0.806194   -0.095872    0.014916    0.106360
O     3.357978    0.119130    1.604886   -0.000670   -0.004540    0.000552
H     3.987883    0.517346    2.235491    0.101290   -0.017546   -0.109676
H     2.873389   -0.547905    2.120060   -0.020204    0.114360    0.116550
O     0.207632    3.456563    1.839080    0.034310   -0.042156    0.014054
H     0.769115    3.971015    2.487621   -0.579426    0.496910   -0.160266
H    -0.294370    2.806390    2.440975   -0.716328    0.713502   -0.330988
O     3.603026   -2.999794    1.195752   -0.038306    0.046228   -0.016152
H     4.088673   -2.332397    0.586083    0.781008   -0.776546    0.365660
H     3.023437   -3.497316    0.540670    0.649896   -0.558276    0.180584
O     3.185799    3.385561    1.661733   -0.002862   -0.004298    0.000416
H     3.748567    3.979750    1.131142   -0.006952    0.074446    0.096948
H     2.627525    2.919106    1.013815    0.061566    0.035456   -0.076400
O     0.621240   -2.931880    1.377163    0.004800    0.003144   -0.000858
H     1.187174   -2.473540    2.024525   -0.087228   -0.002374    0.074692
H     0.067746   -3.535646    1.906485   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171621    5.493459   -3.155204    0.000056    0.000008   -0.000078
Rb    5.561933   -1.266875   -3.730073    0.000360   -0.000116    0.000014
Rb    5.409075   -1.937561    3.309771   -0.000138   -0.001598   -0.001774
Rb    4.900849    4.947320    3.658844   -0.000036    0.000264   -0.000178
Rb    1.959106   -1.350311   -0.694617   -0.004246    0.003976   -0.003828
Rb    5.219207    1.853080   -0.105065    0.000538   -0.000546   -0.000140
Rb    1.979633    2.349398   -4.303452   -0.000024    0.000142   -0.000040
Rb    1.843482    1.803107    3.733037    0.003742   -0.003578    0.003540
Rb    1.515269    5.519514    0.064790   -0.001112   -0.000302    0.000888
Rb   -1.599734    2.394791   -0.272911    0.000158    0.001558    0.001728
Rb   -1.558896    5.687188   -3.359860   -0.000050    0.000076    0.000296
Rb   -1.339270   -1.092401   -3.904559   -0.000198    0.000054   -0.000144
Rb   -1.410499   -1.403185    3.145663   -0.000364    0.000388    0.000090
Rb   -1.931263    5.434249    3.451106    0.001942   -0.002714   -0.002954
Br    5.448770    2.177246   -3.644934   -0.000014   -0.000140    0.000008
Br    5.986933   -1.505630   -0.295185   -0.001666    0.002612   -0.001960
Br    5.547535    1.538528    3.504505   -0.000594    0.000244    0.000008
Br    5.148428    5.467723    0.213706    0.000190   -0.000488    0.000038
Br    1.825347    5.787542   -3.475742    0.000330   -0.000042   -0.000322
Br    2.117462   -1.148804   -4.166638    0.000032   -0.000110    0.000480
Br    1.988109   -1.689997    3.998532   -0.000300    0.000698    0.000090
Br    1.524848    5.681268    3.705301    0.001908   -0.001082    0.001414
Br   -1.512704    2.349620   -3.859494    0.000088   -0.000350   -0.000368
Br   -1.743467   -1.081986   -0.462175    0.000542   -0.000216   -0.000114
Br   -2.169619    1.958986    3.335452    0.001474   -0.002322    0.001824
Br   -1.981374    5.880366   -0.007874   -0.000470    0.000784   -0.000860
Br    1.821429    2.143084   -0.961446    0.000426   -0.000864   -0.000074
Br   -1.826581    5.106701    6.861591    0.000144   -0.000054    0.000370
Rb    1.583557    5.095011    7.137980    0.000004    0.000304    0.000018
Br    5.006493    4.955338    7.048816    0.000042   -0.000034    0.000002
Rb   -1.751002    1.714632    6.770632   -0.000330    0.000134    0.000044
Br    1.693665    1.602387    7.205109   -0.000004    0.000042   -0.000260
Rb    5.151177    1.549041    6.947376    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730233    6.684610   -0.000004    0.000134    0.000048
Rb    1.837677   -1.897137    7.339998    0.000016   -0.000120    0.000058
Br    5.328831   -1.893663    6.897880   -0.000026    0.000364    0.000458
Rb   -1.349067   -5.047319    6.195189   -0.000018    0.000026    0.000118
Br    1.997142   -5.332861    6.508547   -0.000368    0.000034    0.000366
Rb    5.381301   -5.231497    6.394880    0.000046   -0.000092   -0.000282
Br   -1.333195   -5.018587    2.826365   -0.000132    0.000420   -0.000032
Rb    2.299310   -5.065514    2.967854    0.001564    0.000036   -0.000756
Br    5.794828   -5.422558    3.042443    0.000516   -0.000710    0.000990
Rb   -1.094766   -4.492106   -0.618240   -0.000052   -0.000290    0.000170
Br    2.283103   -5.222698   -0.671532   -0.002138    0.001356   -0.001498
Rb    5.739479   -4.978093   -0.414947   -0.002380    0.002316    0.002586
Br   -1.197138   -4.498564   -4.008133   -0.000054    0.000054    0.000042
Rb    2.225437   -4.640958   -4.105158   -0.000016   -0.000318   -0.000020
Br    5.636096   -4.658853   -3.825788   -0.000182    0.000090   -0.000340
O     0.451596    0.334462    1.433577    0.001566    0.004270   -0.001098
H     0.941298    1.000473    0.921642   -0.001272   -0.088906   -0.107882
H    -0.177524   -0.060612    0.799491   -0.095872    0.014916    0.106360
O     3.358020    0.119416    1.604851   -0.000670   -0.004540    0.000552
H     3.981500    0.518452    2.242402    0.101290   -0.017546   -0.109676
H     2.874662   -0.555112    2.112715   -0.020204    0.114360    0.116550
O     0.205470    3.459220    1.838194    0.034310   -0.042156    0.014054
H     0.805629    3.939701    2.497721   -0.579426    0.496910   -0.160266
H    -0.249229    2.761427    2.461832   -0.716328    0.713502   -0.330988
O     3.605440   -3.002707    1.196770   -0.038306    0.046228   -0.016152
H     4.039456   -2.283461    0.563040    0.781008   -0.776546    0.365660
H     2.982482   -3.462135    0.529290    0.649896   -0.558276    0.180584
O     3.185979    3.385832    1.661707   -0.002862   -0.004298    0.000416
H     3.749005    3.975059    1.125032   -0.006952    0.074446    0.096948
H     2.623645    2.916872    1.018630    0.061566    0.035456   -0.076400
O     0.620938   -2.932078    1.377217    0.004800    0.003144   -0.000858
H     1.192670   -2.473390    2.019818   -0.087228   -0.002374    0.074692
H     0.068731   -3.532748    1.912075   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171619    5.493459   -3.155202    0.000056    0.000008   -0.000078
Rb    5.561922   -1.266872   -3.730074    0.000360   -0.000116    0.000014
Rb    5.409079   -1.937516    3.309821   -0.000138   -0.001598   -0.001774
Rb    4.900850    4.947313    3.658849   -0.000036    0.000264   -0.000178
Rb    1.959226   -1.350424   -0.694509   -0.004246    0.003976   -0.003828
Rb    5.219191    1.853095   -0.105061    0.000538   -0.000546   -0.000140
Rb    1.979633    2.349394   -4.303451   -0.000024    0.000142   -0.000040
Rb    1.843376    1.803208    3.732937    0.003742   -0.003578    0.003540
Rb    1.515301    5.519522    0.064765   -0.001112   -0.000302    0.000888
Rb   -1.599738    2.394747   -0.272960    0.000158    0.001558    0.001728
Rb   -1.558895    5.687185   -3.359868   -0.000050    0.000076    0.000296
Rb   -1.339264   -1.092403   -3.904555   -0.000198    0.000054   -0.000144
Rb   -1.410489   -1.403196    3.145661   -0.000364    0.000388    0.000090
Rb   -1.931318    5.434326    3.451189    0.001942   -0.002714   -0.002954
Br    5.448771    2.177250   -3.644934   -0.000014   -0.000140    0.000008
Br    5.986980   -1.505704   -0.295129   -0.001666    0.002612   -0.001960
Br    5.547552    1.538521    3.504505   -0.000594    0.000244    0.000008
Br    5.148423    5.467737    0.213705    0.000190   -0.000488    0.000038
Br    1.825338    5.787544   -3.475733    0.000330   -0.000042   -0.000322
Br    2.117461   -1.148801   -4.166651    0.000032   -0.000110    0.000480
Br    1.988118   -1.690016    3.998530   -0.000300    0.000698    0.000090
Br    1.524794    5.681298    3.705261    0.001908   -0.001082    0.001414
Br   -1.512707    2.349630   -3.859484    0.000088   -0.000350   -0.000368
Br   -1.743482   -1.081980   -0.462172    0.000542   -0.000216   -0.000114
Br   -2.169661    1.959052    3.335401    0.001474   -0.002322    0.001824
Br   -1.981361    5.880344   -0.007850   -0.000470    0.000784   -0.000860
Br    1.821417    2.143108   -0.961444    0.000426   -0.000864   -0.000074
Br   -1.826585    5.106703    6.861581    0.000144   -0.000054    0.000370
Rb    1.583557    5.095002    7.137980    0.000004    0.000304    0.000018
Br    5.006491    4.955339    7.048816    0.000042   -0.000034    0.000002
Rb   -1.750993    1.714628    6.770631   -0.000330    0.000134    0.000044
Br    1.693665    1.602385    7.205117   -0.000004    0.000042   -0.000260
Rb    5.151172    1.549042    6.947372    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730237    6.684608   -0.000004    0.000134    0.000048
Rb    1.837676   -1.897133    7.339997    0.000016   -0.000120    0.000058
Br    5.328832   -1.893673    6.897867   -0.000026    0.000364    0.000458
Rb   -1.349067   -5.047320    6.195186   -0.000018    0.000026    0.000118
Br    1.997152   -5.332862    6.508536   -0.000368    0.000034    0.000366
Rb    5.381300   -5.231494    6.394888    0.000046   -0.000092   -0.000282
Br   -1.333191   -5.018598    2.826366   -0.000132    0.000420   -0.000032
Rb    2.299265   -5.065515    2.967876    0.001564    0.000036   -0.000756
Br    5.794813   -5.422538    3.042415    0.000516   -0.000710    0.000990
Rb   -1.094765   -4.492098   -0.618245   -0.000052   -0.000290    0.000170
Br    2.283164   -5.222736   -0.671489   -0.002138    0.001356   -0.001498
Rb    5.739546   -4.978159   -0.415020   -0.002380    0.002316    0.002586
Br   -1.197136   -4.498566   -4.008135   -0.000054    0.000054    0.000042
Rb    2.225438   -4.640949   -4.105157   -0.000016   -0.000318   -0.000020
Br    5.636101   -4.658855   -3.825778   -0.000182    0.000090   -0.000340
O     0.451552    0.334342    1.433608    0.001566    0.004270   -0.001098
H     0.941334    1.002988    0.924694   -0.001272   -0.088906   -0.107882
H    -0.174812   -0.061034    0.796483   -0.095872    0.014916    0.106360
O     3.358039    0.119545    1.604835   -0.000670   -0.004540    0.000552
H     3.978636    0.518948    2.245504    0.101290   -0.017546   -0.109676
H     2.875233   -0.558346    2.109419   -0.020204    0.114360    0.116550
O     0.204500    3.460412    1.837797    0.034310   -0.042156    0.014054
H     0.822017    3.925647    2.502254   -0.579426    0.496910   -0.160266
H    -0.228969    2.741246    2.471194   -0.716328    0.713502   -0.330988
O     3.606523   -3.004015    1.197227   -0.038306    0.046228   -0.016152
H     4.017366   -2.261497    0.552698    0.781008   -0.776546    0.365660
H     2.964100   -3.446345    0.524182    0.649896   -0.558276    0.180584
O     3.186060    3.385953    1.661695   -0.002862   -0.004298    0.000416
H     3.749202    3.972953    1.122290   -0.006952    0.074446    0.096948
H     2.621903    2.915869    1.020791    0.061566    0.035456   -0.076400
O     0.620802   -2.932167    1.377241    0.004800    0.003144   -0.000858
H     1.195138   -2.473323    2.017705   -0.087228   -0.002374    0.074692
H     0.069173   -3.531447    1.914584   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171620    5.493459   -3.155203    0.000056    0.000008   -0.000078
Rb    5.561926   -1.266873   -3.730074    0.000360   -0.000116    0.000014
Rb    5.409078   -1.937531    3.309804   -0.000138   -0.001598   -0.001774
Rb    4.900849    4.947315    3.658847   -0.000036    0.000264   -0.000178
Rb    1.959186   -1.350386   -0.694545   -0.004246    0.003976   -0.003828
Rb    5.219196    1.853090   -0.105062    0.000538   -0.000546   -0.000140
Rb    1.979633    2.349396   -4.303451   -0.000024    0.000142   -0.000040
Rb    1.843411    1.803174    3.732971    0.003742   -0.003578    0.003540
Rb    1.515290    5.519519    0.064774   -0.001112   -0.000302    0.000888
Rb   -1.599737    2.394761   -0.272943    0.000158    0.001558    0.001728
Rb   -1.558895    5.687186   -3.359865   -0.000050    0.000076    0.000296
Rb   -1.339266   -1.092402   -3.904556   -0.000198    0.000054   -0.000144
Rb   -1.410492   -1.403193    3.145661   -0.000364    0.000388    0.000090
Rb   -1.931300    5.434300    3.451161    0.001942   -0.002714   -0.002954
Br    5.448771    2.177249   -3.644934   -0.000014   -0.000140    0.000008
Br    5.986964   -1.505679   -0.295148   -0.001666    0.002612   -0.001960
Br    5.547547    1.538523    3.504505   -0.000594    0.000244    0.000008
Br    5.148425    5.467733    0.213705    0.000190   -0.000488    0.000038
Br    1.825341    5.787543   -3.475736    0.000330   -0.000042   -0.000322
Br    2.117461   -1.148802   -4.166647    0.000032   -0.000110    0.000480
Br    1.988115   -1.690010    3.998530   -0.000300    0.000698    0.000090
Br    1.524813    5.681288    3.705274    0.001908   -0.001082    0.001414
Br   -1.512706    2.349627   -3.859487    0.000088   -0.000350   -0.000368
Br   -1.743477   -1.081982   -0.462173    0.000542   -0.000216   -0.000114
Br   -2.169647    1.959030    3.335418    0.001474   -0.002322    0.001824
Br   -1.981366    5.880351   -0.007858   -0.000470    0.000784   -0.000860
Br    1.821421    2.143100   -0.961445    0.000426   -0.000864   -0.000074
Br   -1.826584    5.106702    6.861584    0.000144   -0.000054    0.000370
Rb    1.583557    5.095005    7.137980    0.000004    0.000304    0.000018
Br    5.006492    4.955339    7.048816    0.000042   -0.000034    0.000002
Rb   -1.750996    1.714630    6.770631   -0.000330    0.000134    0.000044
Br    1.693665    1.602386    7.205114   -0.000004    0.000042   -0.000260
Rb    5.151174    1.549042    6.947373    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730235    6.684609   -0.000004    0.000134    0.000048
Rb    1.837677   -1.897134    7.339997    0.000016   -0.000120    0.000058
Br    5.328832   -1.893670    6.897872   -0.000026    0.000364    0.000458
Rb   -1.349067   -5.047320    6.195187   -0.000018    0.000026    0.000118
Br    1.997149   -5.332862    6.508540   -0.000368    0.000034    0.000366
Rb    5.381300   -5.231495    6.394886    0.000046   -0.000092   -0.000282
Br   -1.333192   -5.018595    2.826366   -0.000132    0.000420   -0.000032
Rb    2.299280   -5.065514    2.967869    0.001564    0.000036   -0.000756
Br    5.794818   -5.422545    3.042424    0.000516   -0.000710    0.000990
Rb   -1.094765   -4.492101   -0.618244   -0.000052   -0.000290    0.000170
Br    2.283143   -5.222723   -0.671504   -0.002138    0.001356   -0.001498
Rb    5.739524   -4.978137   -0.414995   -0.002380    0.002316    0.002586
Br   -1.197137   -4.498565   -4.008134   -0.000054    0.000054    0.000042
Rb    2.225437   -4.640952   -4.105157   -0.000016   -0.000318   -0.000020
Br    5.636100   -4.658855   -3.825782   -0.000182    0.000090   -0.000340
O     0.451567    0.334382    1.433598    0.001566    0.004270   -0.001098
H     0.941322    1.002142    0.923667   -0.001272   -0.088906   -0.107882
H    -0.175725   -0.060892    0.797495   -0.095872    0.014916    0.106360
O     3.358032    0.119501    1.604841   -0.000670   -0.004540    0.000552
H     3.979599    0.518781    2.244461    0.101290   -0.017546   -0.109676
H     2.875041   -0.557258    2.110528   -0.020204    0.114360    0.116550
O     0.204826    3.460011    1.837931    0.034310   -0.042156    0.014054
H     0.816505    3.930374    2.500729   -0.579426    0.496910   -0.160266
H    -0.235784    2.748035    2.468045   -0.716328    0.713502   -0.330988
O     3.606159   -3.003575    1.197073   -0.038306    0.046228   -0.016152
H     4.024797   -2.268886    0.556177    0.781008   -0.776546    0.365660
H     2.970284   -3.451656    0.525901    0.649896   -0.558276    0.180584
O     3.186033    3.385912    1.661699   -0.002862   -0.004298    0.000416
H     3.749136    3.973661    1.123213   -0.006952    0.074446    0.096948
H     2.622489    2.916206    1.020064    0.061566    0.035456   -0.076400
O     0.620847   -2.932137    1.377233    0.004800    0.003144   -0.000858
H     1.194308   -2.473346    2.018416   -0.087228   -0.002374    0.074692
H     0.069024   -3.531884    1.913740   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171623    5.493460   -3.155206    0.000056    0.000008   -0.000078
Rb    5.561943   -1.266878   -3.730073    0.000360   -0.000116    0.000014
Rb    5.409071   -1.937605    3.309722   -0.000138   -0.001598   -0.001774
Rb    4.900848    4.947328    3.658839   -0.000036    0.000264   -0.000178
Rb    1.958989   -1.350202   -0.694722   -0.004246    0.003976   -0.003828
Rb    5.219221    1.853065   -0.105069    0.000538   -0.000546   -0.000140
Rb    1.979632    2.349402   -4.303453   -0.000024    0.000142   -0.000040
Rb    1.843585    1.803008    3.733135    0.003742   -0.003578    0.003540
Rb    1.515239    5.519505    0.064815   -0.001112   -0.000302    0.000888
Rb   -1.599729    2.394833   -0.272863    0.000158    0.001558    0.001728
Rb   -1.558897    5.687190   -3.359852   -0.000050    0.000076    0.000296
Rb   -1.339275   -1.092400   -3.904563   -0.000198    0.000054   -0.000144
Rb   -1.410509   -1.403175    3.145666   -0.000364    0.000388    0.000090
Rb   -1.931210    5.434174    3.451025    0.001942   -0.002714   -0.002954
Br    5.448770    2.177242   -3.644933   -0.000014   -0.000140    0.000008
Br    5.986887   -1.505558   -0.295239   -0.001666    0.002612   -0.001960
Br    5.547519    1.538535    3.504506   -0.000594    0.000244    0.000008
Br    5.148433    5.467710    0.213707    0.000190   -0.000488    0.000038
Br    1.825356    5.787541   -3.475751    0.000330   -0.000042   -0.000322
Br    2.117463   -1.148807   -4.166625    0.000032   -0.000110    0.000480
Br    1.988101   -1.689978    3.998535   -0.000300    0.000698    0.000090
Br    1.524901    5.681238    3.705340    0.001908   -0.001082    0.001414
Br   -1.512702    2.349611   -3.859504    0.000088   -0.000350   -0.000368
Br   -1.743452   -1.081992   -0.462179    0.000542   -0.000216   -0.000114
Br   -2.169579    1.958922    3.335503    0.001474   -0.002322    0.001824
Br   -1.981387    5.880387   -0.007898   -0.000470    0.000784   -0.000860
Br    1.821441    2.143060   -0.961448    0.000426   -0.000864   -0.000074
Br   -1.826577    5.106700    6.861602    0.000144   -0.000054    0.000370
Rb    1.583557    5.095019    7.137981    0.000004    0.000304    0.000018
Br    5.006494    4.955337    7.048816    0.000042   -0.000034    0.000002
Rb   -1.751011    1.714636    6.770633   -0.000330    0.000134    0.000044
Br    1.693665    1.602388    7.205102   -0.000004    0.000042   -0.000260
Rb    5.151181    1.549040    6.947380    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730229    6.684611   -0.000004    0.000134    0.000048
Rb    1.837677   -1.897140    7.340000    0.000016   -0.000120    0.000058
Br    5.328831   -1.893653    6.897893   -0.000026    0.000364    0.000458
Rb   -1.349068   -5.047319    6.195192   -0.000018    0.000026    0.000118
Br    1.997132   -5.332860    6.508557   -0.000368    0.000034    0.000366
Rb    5.381303   -5.231499    6.394873    0.000046   -0.000092   -0.000282
Br   -1.333198   -5.018575    2.826364   -0.000132    0.000420   -0.000032
Rb    2.299353   -5.065513    2.967834    0.001564    0.000036   -0.000756
Br    5.794842   -5.422578    3.042470    0.000516   -0.000710    0.000990
Rb   -1.094768   -4.492114   -0.618236   -0.000052   -0.000290    0.000170
Br    2.283044   -5.222660   -0.671573   -0.002138    0.001356   -0.001498
Rb    5.739413   -4.978030   -0.414876   -0.002380    0.002316    0.002586
Br   -1.197139   -4.498563   -4.008132   -0.000054    0.000054    0.000042
Rb    2.225437   -4.640967   -4.105158   -0.000016   -0.000318   -0.000020
Br    5.636091   -4.658850   -3.825797   -0.000182    0.000090   -0.000340
O     0.451639    0.334580    1.433547    0.001566    0.004270   -0.001098
H     0.941263    0.998027    0.918674   -0.001272   -0.088906   -0.107882
H    -0.180162   -0.060202    0.802418   -0.095872    0.014916    0.106360
O     3.358001    0.119291    1.604866   -0.000670   -0.004540    0.000552
H     3.984287    0.517969    2.239385    0.101290   -0.017546   -0.109676
H     2.874106   -0.551965    2.115922   -0.020204    0.114360    0.116550
O     0.206414    3.458060    1.838581    0.034310   -0.042156    0.014054
H     0.789688    3.953372    2.493311   -0.579426    0.496910   -0.160266
H    -0.268937    2.781057    2.452726   -0.716328    0.713502   -0.330988
O     3.604386   -3.001435    1.196326   -0.038306    0.046228   -0.016152
H     4.060943   -2.304826    0.573101    0.781008   -0.776546    0.365660
H     3.000362   -3.477495    0.534258    0.649896   -0.558276    0.180584
O     3.185901    3.385713    1.661718   -0.002862   -0.004298    0.000416
H     3.748814    3.977107    1.127699   -0.006952    0.074446    0.096948
H     2.625339    2.917847    1.016528    0.061566    0.035456   -0.076400
O     0.621070   -2.931991    1.377193    0.004800    0.003144   -0.000858
H     1.190271   -2.473455    2.021873   -0.087228   -0.002374    0.074692
H     0.068301   -3.534013    1.909634   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171627    5.493460   -3.155212    0.000056    0.000008   -0.000078
Rb    5.561971   -1.266887   -3.730072    0.000360   -0.000116    0.000014
Rb    5.409061   -1.937729    3.309583   -0.000138   -0.001598   -0.001774
Rb    4.900845    4.947348    3.658825   -0.000036    0.000264   -0.000178
Rb    1.958658   -1.349892   -0.695021   -0.004246    0.003976   -0.003828
Rb    5.219263    1.853022   -0.105080    0.000538   -0.000546   -0.000140
Rb    1.979630    2.349413   -4.303456   -0.000024    0.000142   -0.000040
Rb    1.843877    1.802729    3.733411    0.003742   -0.003578    0.003540
Rb    1.515152    5.519482    0.064884   -0.001112   -0.000302    0.000888
Rb   -1.599717    2.394955   -0.272728    0.000158    0.001558    0.001728
Rb   -1.558901    5.687196   -3.359829   -0.000050    0.000076    0.000296
Rb   -1.339290   -1.092396   -3.904574   -0.000198    0.000054   -0.000144
Rb   -1.410538   -1.403144    3.145673   -0.000364    0.000388    0.000090
Rb   -1.931058    5.433962    3.450794    0.001942   -0.002714   -0.002954
Br    5.448769    2.177231   -3.644933   -0.000014   -0.000140    0.000008
Br    5.986757   -1.505355   -0.295392   -0.001666    0.002612   -0.001960
Br    5.547473    1.538554    3.504506   -0.000594    0.000244    0.000008
Br    5.148448    5.467672    0.213710    0.000190   -0.000488    0.000038
Br    1.825382    5.787538   -3.475776    0.000330   -0.000042   -0.000322
Br    2.117465   -1.148815   -4.166587    0.000032   -0.000110    0.000480
Br    1.988077   -1.689923    3.998542   -0.000300    0.000698    0.000090
Br    1.525050    5.681154    3.705450    0.001908   -0.001082    0.001414
Br   -1.512695    2.349583   -3.859533    0.000088   -0.000350   -0.000368
Br   -1.743410   -1.082009   -0.462187    0.000542   -0.000216   -0.000114
Br   -2.169464    1.958741    3.335645    0.001474   -0.002322    0.001824
Br   -1.981424    5.880448   -0.007965   -0.000470    0.000784   -0.000860
Br    1.821474    2.142993   -0.961454    0.000426   -0.000864   -0.000074
Br   -1.826566    5.106696    6.861630    0.000144   -0.000054    0.000370
Rb    1.583557    5.095043    7.137982    0.000004    0.000304    0.000018
Br    5.006497    4.955334    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751037    1.714646    6.770637   -0.000330    0.000134    0.000044
Br    1.693665    1.602391    7.205082   -0.000004    0.000042   -0.000260
Rb    5.151194    1.549037    6.947391    0.000160   -0.000034    0.000144
Br   -1.634516   -1.730219    6.684615   -0.000004    0.000134    0.000048
Rb    1.837679   -1.897149    7.340005    0.000016   -0.000120    0.000058
Br    5.328829   -1.893624    6.897929   -0.000026    0.000364    0.000458
Rb   -1.349069   -5.047317    6.195202   -0.000018    0.000026    0.000118
Br    1.997103   -5.332857    6.508585   -0.000368    0.000034    0.000366
Rb    5.381306   -5.231506    6.394851    0.000046   -0.000092   -0.000282
Br   -1.333209   -5.018542    2.826362   -0.000132    0.000420   -0.000032
Rb    2.299475   -5.065510    2.967775    0.001564    0.000036   -0.000756
Br    5.794882   -5.422633    3.042547    0.000516   -0.000710    0.000990
Rb   -1.094772   -4.492137   -0.618223   -0.000052   -0.000290    0.000170
Br    2.282878   -5.222555   -0.671690   -0.002138    0.001356   -0.001498
Rb    5.739228   -4.977849   -0.414674   -0.002380    0.002316    0.002586
Br   -1.197143   -4.498559   -4.008129   -0.000054    0.000054    0.000042
Rb    2.225435   -4.640992   -4.105160   -0.000016   -0.000318   -0.000020
Br    5.636077   -4.658843   -3.825824   -0.000182    0.000090   -0.000340
O     0.451761    0.334913    1.433461    0.001566    0.004270   -0.001098
H     0.941163    0.991090    0.910256   -0.001272   -0.088906   -0.107882
H    -0.187643   -0.059038    0.810717   -0.095872    0.014916    0.106360
O     3.357949    0.118937    1.604909   -0.000670   -0.004540    0.000552
H     3.992191    0.516600    2.230827    0.101290   -0.017546   -0.109676
H     2.872529   -0.543041    2.125017   -0.020204    0.114360    0.116550
O     0.209091    3.454770    1.839678    0.034310   -0.042156    0.014054
H     0.744473    3.992148    2.480805   -0.579426    0.496910   -0.160266
H    -0.324835    2.836734    2.426898   -0.716328    0.713502   -0.330988
O     3.601397   -2.997828    1.195065   -0.038306    0.046228   -0.016152
H     4.121888   -2.365422    0.601634    0.781008   -0.776546    0.365660
H     3.051076   -3.521059    0.548350    0.649896   -0.558276    0.180584
O     3.185677    3.385378    1.661751   -0.002862   -0.004298    0.000416
H     3.748272    3.982916    1.135265   -0.006952    0.074446    0.096948
H     2.630143    2.920614    1.010566    0.061566    0.035456   -0.076400
O     0.621444   -2.931746    1.377126    0.004800    0.003144   -0.000858
H     1.183464   -2.473641    2.027701   -0.087228   -0.002374    0.074692
H     0.067081   -3.537602    1.902712   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171633    5.493461   -3.155220    0.000056    0.000008   -0.000078
Rb    5.562007   -1.266899   -3.730071    0.000360   -0.000116    0.000014
Rb    5.409047   -1.937891    3.309404   -0.000138   -0.001598   -0.001774
Rb    4.900841    4.947375    3.658807   -0.000036    0.000264   -0.000178
Rb    1.958228   -1.349489   -0.695409   -0.004246    0.003976   -0.003828
Rb    5.219318    1.852967   -0.105094    0.000538   -0.000546   -0.000140
Rb    1.979628    2.349428   -4.303460   -0.000024    0.000142   -0.000040
Rb    1.844256    1.802367    3.733770    0.003742   -0.003578    0.003540
Rb    1.515039    5.519451    0.064974   -0.001112   -0.000302    0.000888
Rb   -1.599701    2.395113   -0.272553    0.000158    0.001558    0.001728
Rb   -1.558906    5.687203   -3.359799   -0.000050    0.000076    0.000296
Rb   -1.339310   -1.092390   -3.904589   -0.000198    0.000054   -0.000144
Rb   -1.410575   -1.403105    3.145682   -0.000364    0.000388    0.000090
Rb   -1.930862    5.433687    3.450495    0.001942   -0.002714   -0.002954
Br    5.448768    2.177217   -3.644932   -0.000014   -0.000140    0.000008
Br    5.986588   -1.505090   -0.295590   -0.001666    0.002612   -0.001960
Br    5.547413    1.538578    3.504507   -0.000594    0.000244    0.000008
Br    5.148467    5.467622    0.213714    0.000190   -0.000488    0.000038
Br    1.825415    5.787534   -3.475808    0.000330   -0.000042   -0.000322
Br    2.117468   -1.148826   -4.166539    0.000032   -0.000110    0.000480
Br    1.988047   -1.689852    3.998551   -0.000300    0.000698    0.000090
Br    1.525243    5.681044    3.705593    0.001908   -0.001082    0.001414
Br   -1.512686    2.349548   -3.859570    0.000088   -0.000350   -0.000368
Br   -1.743355   -1.082030   -0.462199    0.000542   -0.000216   -0.000114
Br   -2.169315    1.958506    3.335830    0.001474   -0.002322    0.001824
Br   -1.981472    5.880528   -0.008052   -0.000470    0.000784   -0.000860
Br    1.821518    2.142905   -0.961462    0.000426   -0.000864   -0.000074
Br   -1.826551    5.106690    6.861668    0.000144   -0.000054    0.000370
Rb    1.583558    5.095073    7.137984    0.000004    0.000304    0.000018
Br    5.006501    4.955331    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751070    1.714660    6.770641   -0.000330    0.000134    0.000044
Br    1.693664    1.602395    7.205056   -0.000004    0.000042   -0.000260
Rb    5.151210    1.549034    6.947406    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730205    6.684620   -0.000004    0.000134    0.000048
Rb    1.837680   -1.897161    7.340010    0.000016   -0.000120    0.000058
Br    5.328826   -1.893587    6.897975   -0.000026    0.000364    0.000458
Rb   -1.349071   -5.047314    6.195214   -0.000018    0.000026    0.000118
Br    1.997066   -5.332854    6.508622   -0.000368    0.000034    0.000366
Rb    5.381311   -5.231516    6.394822    0.000046   -0.000092   -0.000282
Br   -1.333222   -5.018500    2.826359   -0.000132    0.000420   -0.000032
Rb    2.299633   -5.065506    2.967698    0.001564    0.000036   -0.000756
Br    5.794934   -5.422705    3.042647    0.000516   -0.000710    0.000990
Rb   -1.094777   -4.492166   -0.618205   -0.000052   -0.000290    0.000170
Br    2.282661   -5.222417   -0.671842   -0.002138    0.001356   -0.001498
Rb    5.738986   -4.977614   -0.414412   -0.002380    0.002316    0.002586
Br   -1.197149   -4.498553   -4.008125   -0.000054    0.000054    0.000042
Rb    2.225434   -4.641024   -4.105162   -0.000016   -0.000318   -0.000020
Br    5.636059   -4.658834   -3.825858   -0.000182    0.000090   -0.000340
O     0.451920    0.335346    1.433350    0.001566    0.004270   -0.001098
H     0.941035    0.982081    0.899324   -0.001272   -0.088906   -0.107882
H    -0.197358   -0.057526    0.821495   -0.095872    0.014916    0.106360
O     3.357881    0.118477    1.604965   -0.000670   -0.004540    0.000552
H     4.002455    0.514822    2.219713    0.101290   -0.017546   -0.109676
H     2.870482   -0.531453    2.136827   -0.020204    0.114360    0.116550
O     0.212568    3.450499    1.841102    0.034310   -0.042156    0.014054
H     0.685760    4.042500    2.464565   -0.579426    0.496910   -0.160266
H    -0.397420    2.909033    2.393359   -0.716328    0.713502   -0.330988
O     3.597515   -2.993144    1.193429   -0.038306    0.046228   -0.016152
H     4.201027   -2.444110    0.638687    0.781008   -0.776546    0.365660
H     3.116930   -3.577629    0.566649    0.649896   -0.558276    0.180584
O     3.185387    3.384942    1.661793   -0.002862   -0.004298    0.000416
H     3.747567    3.990460    1.145088   -0.006952    0.074446    0.096948
H     2.636381    2.924207    1.002824    0.061566    0.035456   -0.076400
O     0.621931   -2.931427    1.377040    0.004800    0.003144   -0.000858
H     1.174625   -2.473881    2.035270   -0.087228   -0.002374    0.074692
H     0.065497   -3.542262    1.893723   -0.015634   -0.045992   -0.088712
66
* Frequency(174)  694.4300
Rb    5.171639    5.493462   -3.155229    0.000056    0.000008   -0.000078
Rb    5.562048   -1.266912   -3.730069    0.000360   -0.000116    0.000014
Rb    5.409031   -1.938073    3.309202   -0.000138   -0.001598   -0.001774
Rb    4.900837    4.947405    3.658787   -0.000036    0.000264   -0.000178
Rb    1.957745   -1.349037   -0.695844   -0.004246    0.003976   -0.003828
Rb    5.219379    1.852905   -0.105110    0.000538   -0.000546   -0.000140
Rb    1.979625    2.349444   -4.303465   -0.000024    0.000142   -0.000040
Rb    1.844681    1.801960    3.734172    0.003742   -0.003578    0.003540
Rb    1.514913    5.519417    0.065075   -0.001112   -0.000302    0.000888
Rb   -1.599683    2.395290   -0.272357    0.000158    0.001558    0.001728
Rb   -1.558912    5.687212   -3.359765   -0.000050    0.000076    0.000296
Rb   -1.339333   -1.092384   -3.904605   -0.000198    0.000054   -0.000144
Rb   -1.410616   -1.403061    3.145692   -0.000364    0.000388    0.000090
Rb   -1.930641    5.433379    3.450159    0.001942   -0.002714   -0.002954
Br    5.448766    2.177201   -3.644931   -0.000014   -0.000140    0.000008
Br    5.986399   -1.504793   -0.295813   -0.001666    0.002612   -0.001960
Br    5.547345    1.538606    3.504508   -0.000594    0.000244    0.000008
Br    5.148489    5.467567    0.213718    0.000190   -0.000488    0.000038
Br    1.825453    5.787529   -3.475845    0.000330   -0.000042   -0.000322
Br    2.117472   -1.148839   -4.166484    0.000032   -0.000110    0.000480
Br    1.988013   -1.689773    3.998561   -0.000300    0.000698    0.000090
Br    1.525460    5.680921    3.705754    0.001908   -0.001082    0.001414
Br   -1.512676    2.349508   -3.859612    0.000088   -0.000350   -0.000368
Br   -1.743293   -1.082055   -0.462212    0.000542   -0.000216   -0.000114
Br   -2.169147    1.958242    3.336037    0.001474   -0.002322    0.001824
Br   -1.981525    5.880617   -0.008150   -0.000470    0.000784   -0.000860
Br    1.821566    2.142807   -0.961470    0.000426   -0.000864   -0.000074
Br   -1.826535    5.106684    6.861710    0.000144   -0.000054    0.000370
Rb    1.583558    5.095108    7.137986    0.000004    0.000304    0.000018
Br    5.006506    4.955327    7.048817    0.000042   -0.000034    0.000002
Rb   -1.751108    1.714675    6.770646   -0.000330    0.000134    0.000044
Br    1.693664    1.602400    7.205026   -0.000004    0.000042   -0.000260
Rb    5.151228    1.549030    6.947422    0.000160   -0.000034    0.000144
Br   -1.634517   -1.730190    6.684625   -0.000004    0.000134    0.000048
Rb    1.837682   -1.897175    7.340017    0.000016   -0.000120    0.000058
Br    5.328823   -1.893546    6.898027   -0.000026    0.000364    0.000458
Rb   -1.349073   -5.047311    6.195227   -0.000018    0.000026    0.000118
Br    1.997024   -5.332850    6.508664   -0.000368    0.000034    0.000366
Rb    5.381316   -5.231526    6.394790    0.000046   -0.000092   -0.000282
Br   -1.333237   -5.018452    2.826355   -0.000132    0.000420   -0.000032
Rb    2.299811   -5.065502    2.967612    0.001564    0.000036   -0.000756
Br    5.794993   -5.422786    3.042760    0.000516   -0.000710    0.000990
Rb   -1.094783   -4.492199   -0.618186   -0.000052   -0.000290    0.000170
Br    2.282418   -5.222263   -0.672012   -0.002138    0.001356   -0.001498
Rb    5.738716   -4.977351   -0.414118   -0.002380    0.002316    0.002586
Br   -1.197155   -4.498547   -4.008120   -0.000054    0.000054    0.000042
Rb    2.225432   -4.641060   -4.105164   -0.000016   -0.000318   -0.000020
Br    5.636038   -4.658824   -3.825897   -0.000182    0.000090   -0.000340
O     0.452098    0.335831    1.433225    0.001566    0.004270   -0.001098
H     0.940890    0.971977    0.887064   -0.001272   -0.088906   -0.107882
H    -0.208253   -0.055831    0.833582   -0.095872    0.014916    0.106360
O     3.357805    0.117961    1.605028   -0.000670   -0.004540    0.000552
H     4.013966    0.512828    2.207249    0.101290   -0.017546   -0.109676
H     2.868186   -0.518457    2.150072   -0.020204    0.114360    0.116550
O     0.216467    3.445708    1.842699    0.034310   -0.042156    0.014054
H     0.619911    4.098971    2.446352   -0.579426    0.496910   -0.160266
H    -0.478827    2.990119    2.355744   -0.716328    0.713502   -0.330988
O     3.593162   -2.987890    1.191593   -0.038306    0.046228   -0.016152
H     4.289785   -2.532360    0.680242    0.781008   -0.776546    0.365660
H     3.190787   -3.641074    0.587171    0.649896   -0.558276    0.180584
O     3.185062    3.384454    1.661840   -0.002862   -0.004298    0.000416
H     3.746777    3.998920    1.156106   -0.006952    0.074446    0.096948
H     2.643378    2.928236    0.994142    0.061566    0.035456   -0.076400
O     0.622476   -2.931070    1.376942    0.004800    0.003144   -0.000858
H     1.164712   -2.474151    2.043758   -0.087228   -0.002374    0.074692
H     0.063720   -3.547489    1.883641   -0.015634   -0.045992   -0.088712
