66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229   -0.000068   -0.000148   -0.000036
Rb    5.562048   -1.266912   -3.730069   -0.000046   -0.000068    0.000140
Rb    5.409031   -1.938073    3.309202   -0.000528   -0.000670   -0.002760
Rb    4.900837    4.947405    3.658787    0.000138   -0.000148    0.000006
Rb    1.957745   -1.349037   -0.695844   -0.000560   -0.003518    0.000798
Rb    5.219379    1.852905   -0.105110    0.000074   -0.000224    0.000038
Rb    1.979625    2.349444   -4.303465   -0.000044   -0.000104    0.000026
Rb    1.844681    1.801960    3.734172   -0.000266    0.000320    0.000054
Rb    1.514913    5.519417    0.065075    0.000134    0.000094   -0.000400
Rb   -1.599683    2.395290   -0.272357   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687212   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339333   -1.092384   -3.904605   -0.000078    0.000030    0.000054
Rb   -1.410616   -1.403061    3.145692    0.000222   -0.000730   -0.000456
Rb   -1.930641    5.433379    3.450159   -0.000152   -0.000152    0.000028
Br    5.448766    2.177201   -3.644931   -0.000026   -0.000038   -0.000118
Br    5.986399   -1.504793   -0.295813   -0.001568    0.000622   -0.001544
Br    5.547345    1.538606    3.504508   -0.000256    0.000072    0.000142
Br    5.148489    5.467567    0.213718   -0.000050   -0.000024   -0.000024
Br    1.825453    5.787529   -3.475845   -0.000032   -0.000034    0.000010
Br    2.117472   -1.148839   -4.166484   -0.000174   -0.000142   -0.000138
Br    1.988013   -1.689773    3.998561    0.000066   -0.000176    0.000030
Br    1.525460    5.680921    3.705754   -0.000120    0.000172   -0.000244
Br   -1.512676    2.349508   -3.859612   -0.000090   -0.000024   -0.000032
Br   -1.743293   -1.082055   -0.462212   -0.000160    0.000016   -0.000164
Br   -2.169147    1.958242    3.336037    0.000136   -0.000026    0.000188
Br   -1.981525    5.880617   -0.008150    0.000078    0.000024    0.000040
Br    1.821566    2.142807   -0.961470   -0.000154    0.000034   -0.000018
Br   -1.826535    5.106684    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583558    5.095108    7.137986    0.000026   -0.000084    0.000006
Br    5.006506    4.955327    7.048817    0.000018   -0.000128   -0.000026
Rb   -1.751108    1.714675    6.770646   -0.000038   -0.000032   -0.000048
Br    1.693664    1.602400    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549030    6.947422   -0.000004   -0.000112   -0.000028
Br   -1.634517   -1.730190    6.684625   -0.000046   -0.000058    0.000052
Rb    1.837682   -1.897175    7.340017   -0.000094   -0.000048   -0.000016
Br    5.328823   -1.893546    6.898027   -0.000134   -0.000202    0.000062
Rb   -1.349073   -5.047311    6.195227   -0.000156    0.000022   -0.000010
Br    1.997024   -5.332850    6.508664   -0.000066   -0.000116   -0.000330
Rb    5.381316   -5.231526    6.394790   -0.000096   -0.000046    0.000044
Br   -1.333237   -5.018452    2.826355    0.000398   -0.000662   -0.000062
Rb    2.299811   -5.065502    2.967612   -0.001920   -0.001088    0.003284
Br    5.794993   -5.422786    3.042760   -0.000758   -0.000312   -0.000242
Rb   -1.094783   -4.492199   -0.618186   -0.000382    0.000354   -0.000008
Br    2.282418   -5.222263   -0.672012    0.001370   -0.002146    0.002294
Rb    5.738716   -4.977351   -0.414118    0.001248    0.000428   -0.000398
Br   -1.197155   -4.498547   -4.008120   -0.000080   -0.000070    0.000056
Rb    2.225432   -4.641060   -4.105164   -0.000118    0.000114   -0.000186
Br    5.636038   -4.658824   -3.825897   -0.000218   -0.000244    0.000022
O     0.452098    0.335831    1.433225   -0.000568    0.000166    0.000006
H     0.940890    0.971977    0.887064    0.010756   -0.011450   -0.003894
H    -0.208253   -0.055831    0.833582   -0.008448    0.008070    0.003964
O     3.357805    0.117961    1.605028   -0.000822   -0.004116    0.000514
H     4.013966    0.512828    2.207249    0.094206   -0.065742   -0.064176
H     2.868186   -0.518457    2.150072   -0.017256    0.050298    0.050632
O     0.216467    3.445708    1.842699   -0.002062   -0.000632   -0.000054
H     0.619911    4.098971    2.446352    0.060290   -0.124610    0.091848
H    -0.478827    2.990119    2.355744   -0.091896    0.038334   -0.086304
O     3.593162   -2.987890    1.191593    0.019218    0.003774    0.002346
H     4.289785   -2.532360    0.680242    0.819314   -0.326040    0.789614
H     3.190787   -3.641074    0.587171   -0.574358    1.173686   -0.861224
O     3.185062    3.384454    1.661840    0.000378    0.000182    0.000184
H     3.746777    3.998920    1.156106    0.023906   -0.026542   -0.006230
H     2.643378    2.928236    0.994142   -0.008444    0.005722    0.003430
O     0.622476   -2.931070    1.376942   -0.006566   -0.006666   -0.001612
H     1.164712   -2.474151    2.043758    0.074836   -0.026162   -0.053340
H     0.063720   -3.547489    1.883641   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171631    5.493445   -3.155233   -0.000068   -0.000148   -0.000036
Rb    5.562043   -1.266920   -3.730053   -0.000046   -0.000068    0.000140
Rb    5.408971   -1.938149    3.308888   -0.000528   -0.000670   -0.002760
Rb    4.900853    4.947388    3.658788    0.000138   -0.000148    0.000006
Rb    1.957681   -1.349437   -0.695753   -0.000560   -0.003518    0.000798
Rb    5.219387    1.852880   -0.105106    0.000074   -0.000224    0.000038
Rb    1.979620    2.349432   -4.303462   -0.000044   -0.000104    0.000026
Rb    1.844651    1.801996    3.734178   -0.000266    0.000320    0.000054
Rb    1.514928    5.519428    0.065030    0.000134    0.000094   -0.000400
Rb   -1.599684    2.395290   -0.272326   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687207   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339342   -1.092381   -3.904599   -0.000078    0.000030    0.000054
Rb   -1.410591   -1.403144    3.145640    0.000222   -0.000730   -0.000456
Rb   -1.930658    5.433362    3.450162   -0.000152   -0.000152    0.000028
Br    5.448763    2.177197   -3.644944   -0.000026   -0.000038   -0.000118
Br    5.986221   -1.504722   -0.295988   -0.001568    0.000622   -0.001544
Br    5.547316    1.538614    3.504524   -0.000256    0.000072    0.000142
Br    5.148483    5.467564    0.213715   -0.000050   -0.000024   -0.000024
Br    1.825449    5.787525   -3.475844   -0.000032   -0.000034    0.000010
Br    2.117452   -1.148855   -4.166500   -0.000174   -0.000142   -0.000138
Br    1.988021   -1.689793    3.998564    0.000066   -0.000176    0.000030
Br    1.525446    5.680941    3.705726   -0.000120    0.000172   -0.000244
Br   -1.512686    2.349505   -3.859616   -0.000090   -0.000024   -0.000032
Br   -1.743311   -1.082053   -0.462231   -0.000160    0.000016   -0.000164
Br   -2.169132    1.958239    3.336058    0.000136   -0.000026    0.000188
Br   -1.981516    5.880620   -0.008145    0.000078    0.000024    0.000040
Br    1.821548    2.142811   -0.961472   -0.000154    0.000034   -0.000018
Br   -1.826530    5.106682    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583561    5.095098    7.137987    0.000026   -0.000084    0.000006
Br    5.006508    4.955312    7.048814    0.000018   -0.000128   -0.000026
Rb   -1.751112    1.714671    6.770641   -0.000038   -0.000032   -0.000048
Br    1.693661    1.602394    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549017    6.947419   -0.000004   -0.000112   -0.000028
Br   -1.634522   -1.730197    6.684631   -0.000046   -0.000058    0.000052
Rb    1.837671   -1.897180    7.340015   -0.000094   -0.000048   -0.000016
Br    5.328808   -1.893569    6.898034   -0.000134   -0.000202    0.000062
Rb   -1.349091   -5.047308    6.195226   -0.000156    0.000022   -0.000010
Br    1.997016   -5.332863    6.508626   -0.000066   -0.000116   -0.000330
Rb    5.381305   -5.231531    6.394795   -0.000096   -0.000046    0.000044
Br   -1.333192   -5.018527    2.826348    0.000398   -0.000662   -0.000062
Rb    2.299593   -5.065626    2.967985   -0.001920   -0.001088    0.003284
Br    5.794907   -5.422821    3.042732   -0.000758   -0.000312   -0.000242
Rb   -1.094826   -4.492159   -0.618187   -0.000382    0.000354   -0.000008
Br    2.282574   -5.222507   -0.671751    0.001370   -0.002146    0.002294
Rb    5.738858   -4.977302   -0.414163    0.001248    0.000428   -0.000398
Br   -1.197164   -4.498555   -4.008114   -0.000080   -0.000070    0.000056
Rb    2.225419   -4.641047   -4.105185   -0.000118    0.000114   -0.000186
Br    5.636013   -4.658852   -3.825894   -0.000218   -0.000244    0.000022
O     0.452033    0.335850    1.433226   -0.000568    0.000166    0.000006
H     0.942112    0.970676    0.886621    0.010756   -0.011450   -0.003894
H    -0.209213   -0.054914    0.834032   -0.008448    0.008070    0.003964
O     3.357712    0.117493    1.605086   -0.000822   -0.004116    0.000514
H     4.024672    0.505357    2.199956    0.094206   -0.065742   -0.064176
H     2.866225   -0.512741    2.155826   -0.017256    0.050298    0.050632
O     0.216233    3.445636    1.842693   -0.002062   -0.000632   -0.000054
H     0.626763    4.084810    2.456790    0.060290   -0.124610    0.091848
H    -0.489271    2.994475    2.345936   -0.091896    0.038334   -0.086304
O     3.595346   -2.987461    1.191860    0.019218    0.003774    0.002346
H     4.382896   -2.569413    0.769978    0.819314   -0.326040    0.789614
H     3.125514   -3.507691    0.489297   -0.574358    1.173686   -0.861224
O     3.185105    3.384475    1.661861    0.000378    0.000182    0.000184
H     3.749494    3.995904    1.155398    0.023906   -0.026542   -0.006230
H     2.642418    2.928886    0.994532   -0.008444    0.005722    0.003430
O     0.621730   -2.931828    1.376759   -0.006566   -0.006666   -0.001612
H     1.173217   -2.477124    2.037696    0.074836   -0.026162   -0.053340
H     0.045793   -3.525126    1.893139   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171624    5.493430   -3.155237   -0.000068   -0.000148   -0.000036
Rb    5.562038   -1.266927   -3.730039   -0.000046   -0.000068    0.000140
Rb    5.408917   -1.938217    3.308609   -0.000528   -0.000670   -0.002760
Rb    4.900867    4.947373    3.658788    0.000138   -0.000148    0.000006
Rb    1.957625   -1.349793   -0.695672   -0.000560   -0.003518    0.000798
Rb    5.219395    1.852857   -0.105102    0.000074   -0.000224    0.000038
Rb    1.979616    2.349422   -4.303459   -0.000044   -0.000104    0.000026
Rb    1.844624    1.802029    3.734184   -0.000266    0.000320    0.000054
Rb    1.514942    5.519437    0.064989    0.000134    0.000094   -0.000400
Rb   -1.599684    2.395290   -0.272298   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687203   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339350   -1.092378   -3.904593   -0.000078    0.000030    0.000054
Rb   -1.410568   -1.403218    3.145594    0.000222   -0.000730   -0.000456
Rb   -1.930674    5.433346    3.450165   -0.000152   -0.000152    0.000028
Br    5.448760    2.177193   -3.644956   -0.000026   -0.000038   -0.000118
Br    5.986062   -1.504659   -0.296145   -0.001568    0.000622   -0.001544
Br    5.547290    1.538621    3.504539   -0.000256    0.000072    0.000142
Br    5.148478    5.467562    0.213713   -0.000050   -0.000024   -0.000024
Br    1.825446    5.787522   -3.475843   -0.000032   -0.000034    0.000010
Br    2.117435   -1.148870   -4.166514   -0.000174   -0.000142   -0.000138
Br    1.988027   -1.689811    3.998567    0.000066   -0.000176    0.000030
Br    1.525434    5.680958    3.705702   -0.000120    0.000172   -0.000244
Br   -1.512695    2.349503   -3.859619   -0.000090   -0.000024   -0.000032
Br   -1.743327   -1.082052   -0.462247   -0.000160    0.000016   -0.000164
Br   -2.169118    1.958236    3.336077    0.000136   -0.000026    0.000188
Br   -1.981508    5.880622   -0.008141    0.000078    0.000024    0.000040
Br    1.821533    2.142814   -0.961474   -0.000154    0.000034   -0.000018
Br   -1.826526    5.106681    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583564    5.095090    7.137987    0.000026   -0.000084    0.000006
Br    5.006510    4.955299    7.048811    0.000018   -0.000128   -0.000026
Rb   -1.751116    1.714668    6.770636   -0.000038   -0.000032   -0.000048
Br    1.693658    1.602388    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.549006    6.947416   -0.000004   -0.000112   -0.000028
Br   -1.634527   -1.730202    6.684636   -0.000046   -0.000058    0.000052
Rb    1.837662   -1.897185    7.340014   -0.000094   -0.000048   -0.000016
Br    5.328794   -1.893589    6.898040   -0.000134   -0.000202    0.000062
Rb   -1.349107   -5.047306    6.195225   -0.000156    0.000022   -0.000010
Br    1.997010   -5.332875    6.508593   -0.000066   -0.000116   -0.000330
Rb    5.381295   -5.231536    6.394799   -0.000096   -0.000046    0.000044
Br   -1.333151   -5.018594    2.826342    0.000398   -0.000662   -0.000062
Rb    2.299398   -5.065736    2.968318   -0.001920   -0.001088    0.003284
Br    5.794830   -5.422853    3.042708   -0.000758   -0.000312   -0.000242
Rb   -1.094865   -4.492123   -0.618188   -0.000382    0.000354   -0.000008
Br    2.282713   -5.222724   -0.671519    0.001370   -0.002146    0.002294
Rb    5.738984   -4.977259   -0.414204    0.001248    0.000428   -0.000398
Br   -1.197172   -4.498562   -4.008108   -0.000080   -0.000070    0.000056
Rb    2.225407   -4.641035   -4.105204   -0.000118    0.000114   -0.000186
Br    5.635991   -4.658876   -3.825892   -0.000218   -0.000244    0.000022
O     0.451976    0.335867    1.433226   -0.000568    0.000166    0.000006
H     0.943202    0.969516    0.886227    0.010756   -0.011450   -0.003894
H    -0.210069   -0.054096    0.834434   -0.008448    0.008070    0.003964
O     3.357628    0.117076    1.605138   -0.000822   -0.004116    0.000514
H     4.034218    0.498695    2.193453    0.094206   -0.065742   -0.064176
H     2.864476   -0.507644    2.160957   -0.017256    0.050298    0.050632
O     0.216024    3.445572    1.842687   -0.002062   -0.000632   -0.000054
H     0.632872    4.072183    2.466097    0.060290   -0.124610    0.091848
H    -0.498582    2.998360    2.337191   -0.091896    0.038334   -0.086304
O     3.597293   -2.987079    1.192097    0.019218    0.003774    0.002346
H     4.465917   -2.602450    0.849989    0.819314   -0.326040    0.789614
H     3.067315   -3.388761    0.402030   -0.574358    1.173686   -0.861224
O     3.185143    3.384493    1.661880    0.000378    0.000182    0.000184
H     3.751916    3.993214    1.154767    0.023906   -0.026542   -0.006230
H     2.641563    2.929466    0.994879   -0.008444    0.005722    0.003430
O     0.621064   -2.932503    1.376595   -0.006566   -0.006666   -0.001612
H     1.180800   -2.479775    2.032291    0.074836   -0.026162   -0.053340
H     0.029809   -3.505185    1.901608   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171619    5.493419   -3.155240   -0.000068   -0.000148   -0.000036
Rb    5.562035   -1.266932   -3.730028   -0.000046   -0.000068    0.000140
Rb    5.408876   -1.938269    3.308393   -0.000528   -0.000670   -0.002760
Rb    4.900877    4.947362    3.658789    0.000138   -0.000148    0.000006
Rb    1.957581   -1.350068   -0.695610   -0.000560   -0.003518    0.000798
Rb    5.219401    1.852839   -0.105099    0.000074   -0.000224    0.000038
Rb    1.979612    2.349414   -4.303457   -0.000044   -0.000104    0.000026
Rb    1.844603    1.802054    3.734188   -0.000266    0.000320    0.000054
Rb    1.514952    5.519445    0.064958    0.000134    0.000094   -0.000400
Rb   -1.599685    2.395290   -0.272276   -0.000006    0.000000    0.000276
Rb   -1.558911    5.687200   -3.359766    0.000002   -0.000040   -0.000002
Rb   -1.339356   -1.092375   -3.904589   -0.000078    0.000030    0.000054
Rb   -1.410551   -1.403275    3.145558    0.000222   -0.000730   -0.000456
Rb   -1.930686    5.433334    3.450167   -0.000152   -0.000152    0.000028
Br    5.448758    2.177190   -3.644966   -0.000026   -0.000038   -0.000118
Br    5.985940   -1.504611   -0.296265   -0.001568    0.000622   -0.001544
Br    5.547270    1.538627    3.504550   -0.000256    0.000072    0.000142
Br    5.148474    5.467560    0.213711   -0.000050   -0.000024   -0.000024
Br    1.825444    5.787519   -3.475842   -0.000032   -0.000034    0.000010
Br    2.117421   -1.148881   -4.166524   -0.000174   -0.000142   -0.000138
Br    1.988032   -1.689825    3.998570    0.000066   -0.000176    0.000030
Br    1.525425    5.680971    3.705683   -0.000120    0.000172   -0.000244
Br   -1.512702    2.349501   -3.859621   -0.000090   -0.000024   -0.000032
Br   -1.743340   -1.082050   -0.462260   -0.000160    0.000016   -0.000164
Br   -2.169107    1.958234    3.336092    0.000136   -0.000026    0.000188
Br   -1.981502    5.880624   -0.008138    0.000078    0.000024    0.000040
Br    1.821521    2.142817   -0.961475   -0.000154    0.000034   -0.000018
Br   -1.826523    5.106679    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583566    5.095083    7.137988    0.000026   -0.000084    0.000006
Br    5.006511    4.955289    7.048809    0.000018   -0.000128   -0.000026
Rb   -1.751119    1.714666    6.770632   -0.000038   -0.000032   -0.000048
Br    1.693656    1.602384    7.205025   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.548997    6.947414   -0.000004   -0.000112   -0.000028
Br   -1.634530   -1.730207    6.684640   -0.000046   -0.000058    0.000052
Rb    1.837654   -1.897189    7.340012   -0.000094   -0.000048   -0.000016
Br    5.328784   -1.893605    6.898045   -0.000134   -0.000202    0.000062
Rb   -1.349119   -5.047305    6.195224   -0.000156    0.000022   -0.000010
Br    1.997005   -5.332884    6.508567   -0.000066   -0.000116   -0.000330
Rb    5.381288   -5.231539    6.394803   -0.000096   -0.000046    0.000044
Br   -1.333120   -5.018646    2.826337    0.000398   -0.000662   -0.000062
Rb    2.299248   -5.065821    2.968574   -0.001920   -0.001088    0.003284
Br    5.794771   -5.422877    3.042689   -0.000758   -0.000312   -0.000242
Rb   -1.094895   -4.492095   -0.618188   -0.000382    0.000354   -0.000008
Br    2.282819   -5.222892   -0.671340    0.001370   -0.002146    0.002294
Rb    5.739082   -4.977226   -0.414235    0.001248    0.000428   -0.000398
Br   -1.197178   -4.498568   -4.008104   -0.000080   -0.000070    0.000056
Rb    2.225397   -4.641027   -4.105218   -0.000118    0.000114   -0.000186
Br    5.635974   -4.658895   -3.825891   -0.000218   -0.000244    0.000022
O     0.451932    0.335880    1.433227   -0.000568    0.000166    0.000006
H     0.944042    0.968622    0.885923    0.010756   -0.011450   -0.003894
H    -0.210728   -0.053466    0.834743   -0.008448    0.008070    0.003964
O     3.357564    0.116755    1.605179   -0.000822   -0.004116    0.000514
H     4.041569    0.493565    2.188445    0.094206   -0.065742   -0.064176
H     2.863130   -0.503719    2.164908   -0.017256    0.050298    0.050632
O     0.215863    3.445523    1.842683   -0.002062   -0.000632   -0.000054
H     0.637576    4.062459    2.473264    0.060290   -0.124610    0.091848
H    -0.505753    3.001351    2.330456   -0.091896    0.038334   -0.086304
O     3.598793   -2.986784    1.192280    0.019218    0.003774    0.002346
H     4.529851   -2.627892    0.911605    0.819314   -0.326040    0.789614
H     3.022495   -3.297174    0.334825   -0.574358    1.173686   -0.861224
O     3.185173    3.384507    1.661894    0.000378    0.000182    0.000184
H     3.753782    3.991143    1.154281    0.023906   -0.026542   -0.006230
H     2.640904    2.929913    0.995147   -0.008444    0.005722    0.003430
O     0.620552   -2.933023    1.376470   -0.006566   -0.006666   -0.001612
H     1.186640   -2.481817    2.028129    0.074836   -0.026162   -0.053340
H     0.017499   -3.489830    1.908129   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171616    5.493412   -3.155241   -0.000068   -0.000148   -0.000036
Rb    5.562032   -1.266935   -3.730021   -0.000046   -0.000068    0.000140
Rb    5.408852   -1.938300    3.308266   -0.000528   -0.000670   -0.002760
Rb    4.900884    4.947355    3.658789    0.000138   -0.000148    0.000006
Rb    1.957555   -1.350231   -0.695573   -0.000560   -0.003518    0.000798
Rb    5.219404    1.852829   -0.105097    0.000074   -0.000224    0.000038
Rb    1.979610    2.349409   -4.303456   -0.000044   -0.000104    0.000026
Rb    1.844591    1.802069    3.734190   -0.000266    0.000320    0.000054
Rb    1.514958    5.519449    0.064939    0.000134    0.000094   -0.000400
Rb   -1.599685    2.395290   -0.272263   -0.000006    0.000000    0.000276
Rb   -1.558911    5.687198   -3.359766    0.000002   -0.000040   -0.000002
Rb   -1.339359   -1.092374   -3.904587   -0.000078    0.000030    0.000054
Rb   -1.410541   -1.403309    3.145537    0.000222   -0.000730   -0.000456
Rb   -1.930693    5.433327    3.450169   -0.000152   -0.000152    0.000028
Br    5.448757    2.177188   -3.644971   -0.000026   -0.000038   -0.000118
Br    5.985867   -1.504582   -0.296337   -0.001568    0.000622   -0.001544
Br    5.547258    1.538630    3.504556   -0.000256    0.000072    0.000142
Br    5.148472    5.467559    0.213710   -0.000050   -0.000024   -0.000024
Br    1.825442    5.787517   -3.475842   -0.000032   -0.000034    0.000010
Br    2.117413   -1.148887   -4.166531   -0.000174   -0.000142   -0.000138
Br    1.988035   -1.689833    3.998571    0.000066   -0.000176    0.000030
Br    1.525419    5.680979    3.705671   -0.000120    0.000172   -0.000244
Br   -1.512707    2.349500   -3.859623   -0.000090   -0.000024   -0.000032
Br   -1.743347   -1.082050   -0.462268   -0.000160    0.000016   -0.000164
Br   -2.169101    1.958233    3.336101    0.000136   -0.000026    0.000188
Br   -1.981499    5.880625   -0.008136    0.000078    0.000024    0.000040
Br    1.821514    2.142819   -0.961476   -0.000154    0.000034   -0.000018
Br   -1.826521    5.106679    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583567    5.095079    7.137988    0.000026   -0.000084    0.000006
Br    5.006512    4.955284    7.048808    0.000018   -0.000128   -0.000026
Rb   -1.751121    1.714664    6.770630   -0.000038   -0.000032   -0.000048
Br    1.693654    1.602381    7.205025   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.548992    6.947412   -0.000004   -0.000112   -0.000028
Br   -1.634533   -1.730210    6.684643   -0.000046   -0.000058    0.000052
Rb    1.837650   -1.897191    7.340012   -0.000094   -0.000048   -0.000016
Br    5.328778   -1.893615    6.898048   -0.000134   -0.000202    0.000062
Rb   -1.349126   -5.047304    6.195224   -0.000156    0.000022   -0.000010
Br    1.997002   -5.332889    6.508552   -0.000066   -0.000116   -0.000330
Rb    5.381283   -5.231542    6.394805   -0.000096   -0.000046    0.000044
Br   -1.333102   -5.018677    2.826334    0.000398   -0.000662   -0.000062
Rb    2.299160   -5.065871    2.968726   -0.001920   -0.001088    0.003284
Br    5.794736   -5.422892    3.042678   -0.000758   -0.000312   -0.000242
Rb   -1.094913   -4.492079   -0.618189   -0.000382    0.000354   -0.000008
Br    2.282883   -5.222991   -0.671234    0.001370   -0.002146    0.002294
Rb    5.739139   -4.977206   -0.414253    0.001248    0.000428   -0.000398
Br   -1.197182   -4.498571   -4.008101   -0.000080   -0.000070    0.000056
Rb    2.225392   -4.641021   -4.105227   -0.000118    0.000114   -0.000186
Br    5.635964   -4.658907   -3.825890   -0.000218   -0.000244    0.000022
O     0.451905    0.335887    1.433227   -0.000568    0.000166    0.000006
H     0.944539    0.968092    0.885743    0.010756   -0.011450   -0.003894
H    -0.211119   -0.053093    0.834927   -0.008448    0.008070    0.003964
O     3.357526    0.116564    1.605202   -0.000822   -0.004116    0.000514
H     4.045929    0.490522    2.185475    0.094206   -0.065742   -0.064176
H     2.862331   -0.501391    2.167251   -0.017256    0.050298    0.050632
O     0.215767    3.445494    1.842681   -0.002062   -0.000632   -0.000054
H     0.640367    4.056692    2.477515    0.060290   -0.124610    0.091848
H    -0.510006    3.003125    2.326462   -0.091896    0.038334   -0.086304
O     3.599682   -2.986610    1.192389    0.019218    0.003774    0.002346
H     4.567770   -2.642982    0.948150    0.819314   -0.326040    0.789614
H     2.995913   -3.242854    0.294966   -0.574358    1.173686   -0.861224
O     3.185190    3.384516    1.661902    0.000378    0.000182    0.000184
H     3.754888    3.989915    1.153992    0.023906   -0.026542   -0.006230
H     2.640513    2.930177    0.995306   -0.008444    0.005722    0.003430
O     0.620248   -2.933332    1.376395   -0.006566   -0.006666   -0.001612
H     1.190103   -2.483028    2.025660    0.074836   -0.026162   -0.053340
H     0.010198   -3.480722    1.911998   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171615    5.493410   -3.155242   -0.000068   -0.000148   -0.000036
Rb    5.562032   -1.266936   -3.730020   -0.000046   -0.000068    0.000140
Rb    5.408847   -1.938307    3.308239   -0.000528   -0.000670   -0.002760
Rb    4.900885    4.947353    3.658789    0.000138   -0.000148    0.000006
Rb    1.957550   -1.350264   -0.695566   -0.000560   -0.003518    0.000798
Rb    5.219405    1.852827   -0.105097    0.000074   -0.000224    0.000038
Rb    1.979610    2.349408   -4.303456   -0.000044   -0.000104    0.000026
Rb    1.844588    1.802072    3.734191   -0.000266    0.000320    0.000054
Rb    1.514960    5.519450    0.064935    0.000134    0.000094   -0.000400
Rb   -1.599685    2.395290   -0.272261   -0.000006    0.000000    0.000276
Rb   -1.558911    5.687198   -3.359766    0.000002   -0.000040   -0.000002
Rb   -1.339360   -1.092374   -3.904586   -0.000078    0.000030    0.000054
Rb   -1.410539   -1.403316    3.145533    0.000222   -0.000730   -0.000456
Rb   -1.930694    5.433326    3.450169   -0.000152   -0.000152    0.000028
Br    5.448757    2.177188   -3.644972   -0.000026   -0.000038   -0.000118
Br    5.985852   -1.504576   -0.296352   -0.001568    0.000622   -0.001544
Br    5.547256    1.538631    3.504558   -0.000256    0.000072    0.000142
Br    5.148472    5.467559    0.213710   -0.000050   -0.000024   -0.000024
Br    1.825442    5.787517   -3.475842   -0.000032   -0.000034    0.000010
Br    2.117411   -1.148889   -4.166532   -0.000174   -0.000142   -0.000138
Br    1.988036   -1.689834    3.998571    0.000066   -0.000176    0.000030
Br    1.525418    5.680981    3.705669   -0.000120    0.000172   -0.000244
Br   -1.512707    2.349500   -3.859623   -0.000090   -0.000024   -0.000032
Br   -1.743349   -1.082049   -0.462269   -0.000160    0.000016   -0.000164
Br   -2.169100    1.958233    3.336103    0.000136   -0.000026    0.000188
Br   -1.981498    5.880625   -0.008136    0.000078    0.000024    0.000040
Br    1.821512    2.142819   -0.961476   -0.000154    0.000034   -0.000018
Br   -1.826521    5.106678    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583567    5.095079    7.137988    0.000026   -0.000084    0.000006
Br    5.006512    4.955282    7.048808    0.000018   -0.000128   -0.000026
Rb   -1.751121    1.714664    6.770629   -0.000038   -0.000032   -0.000048
Br    1.693654    1.602380    7.205025   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.548991    6.947412   -0.000004   -0.000112   -0.000028
Br   -1.634533   -1.730210    6.684643   -0.000046   -0.000058    0.000052
Rb    1.837649   -1.897192    7.340011   -0.000094   -0.000048   -0.000016
Br    5.328776   -1.893616    6.898049   -0.000134   -0.000202    0.000062
Rb   -1.349127   -5.047303    6.195224   -0.000156    0.000022   -0.000010
Br    1.997001   -5.332890    6.508549   -0.000066   -0.000116   -0.000330
Rb    5.381283   -5.231542    6.394805   -0.000096   -0.000046    0.000044
Br   -1.333098   -5.018683    2.826333    0.000398   -0.000662   -0.000062
Rb    2.299141   -5.065881    2.968757   -0.001920   -0.001088    0.003284
Br    5.794729   -5.422895    3.042676   -0.000758   -0.000312   -0.000242
Rb   -1.094916   -4.492076   -0.618189   -0.000382    0.000354   -0.000008
Br    2.282896   -5.223012   -0.671212    0.001370   -0.002146    0.002294
Rb    5.739151   -4.977202   -0.414257    0.001248    0.000428   -0.000398
Br   -1.197183   -4.498571   -4.008100   -0.000080   -0.000070    0.000056
Rb    2.225391   -4.641020   -4.105229   -0.000118    0.000114   -0.000186
Br    5.635962   -4.658909   -3.825889   -0.000218   -0.000244    0.000022
O     0.451900    0.335889    1.433227   -0.000568    0.000166    0.000006
H     0.944642    0.967983    0.885706    0.010756   -0.011450   -0.003894
H    -0.211200   -0.053016    0.834965   -0.008448    0.008070    0.003964
O     3.357518    0.116525    1.605207   -0.000822   -0.004116    0.000514
H     4.046825    0.489897    2.184864    0.094206   -0.065742   -0.064176
H     2.862167   -0.500913    2.167733   -0.017256    0.050298    0.050632
O     0.215748    3.445488    1.842680   -0.002062   -0.000632   -0.000054
H     0.640940    4.055506    2.478389    0.060290   -0.124610    0.091848
H    -0.510881    3.003490    2.325641   -0.091896    0.038334   -0.086304
O     3.599865   -2.986574    1.192411    0.019218    0.003774    0.002346
H     4.575565   -2.646084    0.955663    0.819314   -0.326040    0.789614
H     2.990448   -3.231687    0.286772   -0.574358    1.173686   -0.861224
O     3.185194    3.384517    1.661904    0.000378    0.000182    0.000184
H     3.755116    3.989662    1.153933    0.023906   -0.026542   -0.006230
H     2.640433    2.930232    0.995338   -0.008444    0.005722    0.003430
O     0.620186   -2.933395    1.376380   -0.006566   -0.006666   -0.001612
H     1.190815   -2.483276    2.025153    0.074836   -0.026162   -0.053340
H     0.008697   -3.478850    1.912793   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171617    5.493415   -3.155241   -0.000068   -0.000148   -0.000036
Rb    5.562033   -1.266934   -3.730024   -0.000046   -0.000068    0.000140
Rb    5.408862   -1.938288    3.308317   -0.000528   -0.000670   -0.002760
Rb    4.900881    4.947358    3.658789    0.000138   -0.000148    0.000006
Rb    1.957566   -1.350165   -0.695588   -0.000560   -0.003518    0.000798
Rb    5.219403    1.852833   -0.105098    0.000074   -0.000224    0.000038
Rb    1.979611    2.349411   -4.303457   -0.000044   -0.000104    0.000026
Rb    1.844596    1.802063    3.734189   -0.000266    0.000320    0.000054
Rb    1.514956    5.519447    0.064947    0.000134    0.000094   -0.000400
Rb   -1.599685    2.395290   -0.272269   -0.000006    0.000000    0.000276
Rb   -1.558911    5.687199   -3.359766    0.000002   -0.000040   -0.000002
Rb   -1.339358   -1.092374   -3.904588   -0.000078    0.000030    0.000054
Rb   -1.410545   -1.403295    3.145546    0.000222   -0.000730   -0.000456
Rb   -1.930690    5.433330    3.450168   -0.000152   -0.000152    0.000028
Br    5.448758    2.177189   -3.644969   -0.000026   -0.000038   -0.000118
Br    5.985896   -1.504594   -0.296308   -0.001568    0.000622   -0.001544
Br    5.547263    1.538629    3.504554   -0.000256    0.000072    0.000142
Br    5.148473    5.467559    0.213710   -0.000050   -0.000024   -0.000024
Br    1.825443    5.787518   -3.475842   -0.000032   -0.000034    0.000010
Br    2.117416   -1.148885   -4.166528   -0.000174   -0.000142   -0.000138
Br    1.988034   -1.689829    3.998571    0.000066   -0.000176    0.000030
Br    1.525422    5.680976    3.705676   -0.000120    0.000172   -0.000244
Br   -1.512705    2.349500   -3.859622   -0.000090   -0.000024   -0.000032
Br   -1.743344   -1.082050   -0.462265   -0.000160    0.000016   -0.000164
Br   -2.169103    1.958234    3.336097    0.000136   -0.000026    0.000188
Br   -1.981500    5.880625   -0.008137    0.000078    0.000024    0.000040
Br    1.821517    2.142818   -0.961476   -0.000154    0.000034   -0.000018
Br   -1.826522    5.106679    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583566    5.095081    7.137988    0.000026   -0.000084    0.000006
Br    5.006512    4.955286    7.048809    0.000018   -0.000128   -0.000026
Rb   -1.751120    1.714665    6.770631   -0.000038   -0.000032   -0.000048
Br    1.693655    1.602382    7.205025   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.548994    6.947413   -0.000004   -0.000112   -0.000028
Br   -1.634532   -1.730209    6.684642   -0.000046   -0.000058    0.000052
Rb    1.837652   -1.897190    7.340012   -0.000094   -0.000048   -0.000016
Br    5.328780   -1.893611    6.898047   -0.000134   -0.000202    0.000062
Rb   -1.349123   -5.047304    6.195224   -0.000156    0.000022   -0.000010
Br    1.997003   -5.332887    6.508558   -0.000066   -0.000116   -0.000330
Rb    5.381285   -5.231541    6.394804   -0.000096   -0.000046    0.000044
Br   -1.333109   -5.018664    2.826335    0.000398   -0.000662   -0.000062
Rb    2.299196   -5.065851    2.968665   -0.001920   -0.001088    0.003284
Br    5.794750   -5.422886    3.042682   -0.000758   -0.000312   -0.000242
Rb   -1.094905   -4.492086   -0.618189   -0.000382    0.000354   -0.000008
Br    2.282857   -5.222951   -0.671277    0.001370   -0.002146    0.002294
Rb    5.739116   -4.977214   -0.414246    0.001248    0.000428   -0.000398
Br   -1.197181   -4.498569   -4.008102   -0.000080   -0.000070    0.000056
Rb    2.225394   -4.641023   -4.105224   -0.000118    0.000114   -0.000186
Br    5.635968   -4.658902   -3.825890   -0.000218   -0.000244    0.000022
O     0.451916    0.335884    1.433227   -0.000568    0.000166    0.000006
H     0.944338    0.968307    0.885816    0.010756   -0.011450   -0.003894
H    -0.210961   -0.053244    0.834853   -0.008448    0.008070    0.003964
O     3.357542    0.116642    1.605193   -0.000822   -0.004116    0.000514
H     4.044161    0.491756    2.186679    0.094206   -0.065742   -0.064176
H     2.862655   -0.502335    2.166301   -0.017256    0.050298    0.050632
O     0.215806    3.445505    1.842682   -0.002062   -0.000632   -0.000054
H     0.639235    4.059031    2.475791    0.060290   -0.124610    0.091848
H    -0.508282    3.002406    2.328082   -0.091896    0.038334   -0.086304
O     3.599322   -2.986680    1.192345    0.019218    0.003774    0.002346
H     4.552392   -2.636863    0.933330    0.819314   -0.326040    0.789614
H     3.006693   -3.264883    0.311131   -0.574358    1.173686   -0.861224
O     3.185183    3.384512    1.661899    0.000378    0.000182    0.000184
H     3.754439    3.990413    1.154109    0.023906   -0.026542   -0.006230
H     2.640672    2.930070    0.995241   -0.008444    0.005722    0.003430
O     0.620371   -2.933207    1.376425   -0.006566   -0.006666   -0.001612
H     1.188698   -2.482536    2.026661    0.074836   -0.026162   -0.053340
H     0.013159   -3.484416    1.910429   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171621    5.493424   -3.155238   -0.000068   -0.000148   -0.000036
Rb    5.562036   -1.266930   -3.730033   -0.000046   -0.000068    0.000140
Rb    5.408895   -1.938246    3.308491   -0.000528   -0.000670   -0.002760
Rb    4.900873    4.947367    3.658789    0.000138   -0.000148    0.000006
Rb    1.957601   -1.349943   -0.695639   -0.000560   -0.003518    0.000798
Rb    5.219398    1.852847   -0.105100    0.000074   -0.000224    0.000038
Rb    1.979614    2.349417   -4.303458   -0.000044   -0.000104    0.000026
Rb    1.844613    1.802042    3.734186   -0.000266    0.000320    0.000054
Rb    1.514948    5.519441    0.064972    0.000134    0.000094   -0.000400
Rb   -1.599685    2.395290   -0.272286   -0.000006    0.000000    0.000276
Rb   -1.558911    5.687202   -3.359766    0.000002   -0.000040   -0.000002
Rb   -1.339353   -1.092376   -3.904591   -0.000078    0.000030    0.000054
Rb   -1.410559   -1.403249    3.145575    0.000222   -0.000730   -0.000456
Rb   -1.930680    5.433340    3.450166   -0.000152   -0.000152    0.000028
Br    5.448759    2.177191   -3.644961   -0.000026   -0.000038   -0.000118
Br    5.985995   -1.504633   -0.296211   -0.001568    0.000622   -0.001544
Br    5.547279    1.538625    3.504545   -0.000256    0.000072    0.000142
Br    5.148476    5.467561    0.213712   -0.000050   -0.000024   -0.000024
Br    1.825445    5.787520   -3.475842   -0.000032   -0.000034    0.000010
Br    2.117427   -1.148876   -4.166520   -0.000174   -0.000142   -0.000138
Br    1.988030   -1.689818    3.998569    0.000066   -0.000176    0.000030
Br    1.525429    5.680965    3.705691   -0.000120    0.000172   -0.000244
Br   -1.512699    2.349502   -3.859620   -0.000090   -0.000024   -0.000032
Br   -1.743334   -1.082051   -0.462254   -0.000160    0.000016   -0.000164
Br   -2.169112    1.958235    3.336085    0.000136   -0.000026    0.000188
Br   -1.981505    5.880623   -0.008140    0.000078    0.000024    0.000040
Br    1.821526    2.142816   -0.961475   -0.000154    0.000034   -0.000018
Br   -1.826525    5.106680    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583565    5.095086    7.137988    0.000026   -0.000084    0.000006
Br    5.006511    4.955294    7.048810    0.000018   -0.000128   -0.000026
Rb   -1.751118    1.714667    6.770634   -0.000038   -0.000032   -0.000048
Br    1.693657    1.602386    7.205025   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.549001    6.947415   -0.000004   -0.000112   -0.000028
Br   -1.634529   -1.730205    6.684638   -0.000046   -0.000058    0.000052
Rb    1.837658   -1.897187    7.340013   -0.000094   -0.000048   -0.000016
Br    5.328788   -1.893598    6.898043   -0.000134   -0.000202    0.000062
Rb   -1.349113   -5.047305    6.195224   -0.000156    0.000022   -0.000010
Br    1.997007   -5.332880    6.508579   -0.000066   -0.000116   -0.000330
Rb    5.381291   -5.231538    6.394801   -0.000096   -0.000046    0.000044
Br   -1.333135   -5.018622    2.826339    0.000398   -0.000662   -0.000062
Rb    2.299317   -5.065782    2.968458   -0.001920   -0.001088    0.003284
Br    5.794798   -5.422866    3.042698   -0.000758   -0.000312   -0.000242
Rb   -1.094881   -4.492108   -0.618188   -0.000382    0.000354   -0.000008
Br    2.282771   -5.222816   -0.671421    0.001370   -0.002146    0.002294
Rb    5.739037   -4.977241   -0.414220    0.001248    0.000428   -0.000398
Br   -1.197176   -4.498565   -4.008106   -0.000080   -0.000070    0.000056
Rb    2.225402   -4.641031   -4.105212   -0.000118    0.000114   -0.000186
Br    5.635982   -4.658887   -3.825891   -0.000218   -0.000244    0.000022
O     0.451952    0.335874    1.433227   -0.000568    0.000166    0.000006
H     0.943660    0.969029    0.886061    0.010756   -0.011450   -0.003894
H    -0.210428   -0.053753    0.834603   -0.008448    0.008070    0.003964
O     3.357593    0.116901    1.605160   -0.000822   -0.004116    0.000514
H     4.038224    0.495899    2.190723    0.094206   -0.065742   -0.064176
H     2.863743   -0.505505    2.163110   -0.017256    0.050298    0.050632
O     0.215936    3.445545    1.842685   -0.002062   -0.000632   -0.000054
H     0.635436    4.066884    2.470003    0.060290   -0.124610    0.091848
H    -0.502491    2.999990    2.333520   -0.091896    0.038334   -0.086304
O     3.598111   -2.986918    1.192197    0.019218    0.003774    0.002346
H     4.500761   -2.616316    0.883570    0.819314   -0.326040    0.789614
H     3.042888   -3.338846    0.365403   -0.574358    1.173686   -0.861224
O     3.185159    3.384501    1.661887    0.000378    0.000182    0.000184
H     3.752933    3.992085    1.154502    0.023906   -0.026542   -0.006230
H     2.641204    2.929709    0.995025   -0.008444    0.005722    0.003430
O     0.620785   -2.932787    1.376527   -0.006566   -0.006666   -0.001612
H     1.183983   -2.480888    2.030023    0.074836   -0.026162   -0.053340
H     0.023100   -3.496816    1.905162   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171628    5.493437   -3.155235   -0.000068   -0.000148   -0.000036
Rb    5.562040   -1.266923   -3.730046   -0.000046   -0.000068    0.000140
Rb    5.408943   -1.938185    3.308742   -0.000528   -0.000670   -0.002760
Rb    4.900860    4.947380    3.658788    0.000138   -0.000148    0.000006
Rb    1.957652   -1.349623   -0.695711   -0.000560   -0.003518    0.000798
Rb    5.219391    1.852868   -0.105104    0.000074   -0.000224    0.000038
Rb    1.979618    2.349427   -4.303461   -0.000044   -0.000104    0.000026
Rb    1.844637    1.802013    3.734181   -0.000266    0.000320    0.000054
Rb    1.514935    5.519433    0.065008    0.000134    0.000094   -0.000400
Rb   -1.599684    2.395290   -0.272311   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687205   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339346   -1.092379   -3.904596   -0.000078    0.000030    0.000054
Rb   -1.410579   -1.403183    3.145616    0.000222   -0.000730   -0.000456
Rb   -1.930666    5.433354    3.450164   -0.000152   -0.000152    0.000028
Br    5.448762    2.177195   -3.644951   -0.000026   -0.000038   -0.000118
Br    5.986138   -1.504689   -0.296070   -0.001568    0.000622   -0.001544
Br    5.547302    1.538618    3.504532   -0.000256    0.000072    0.000142
Br    5.148481    5.467563    0.213714   -0.000050   -0.000024   -0.000024
Br    1.825448    5.787523   -3.475843   -0.000032   -0.000034    0.000010
Br    2.117443   -1.148863   -4.166507   -0.000174   -0.000142   -0.000138
Br    1.988024   -1.689802    3.998566    0.000066   -0.000176    0.000030
Br    1.525440    5.680950    3.705713   -0.000120    0.000172   -0.000244
Br   -1.512691    2.349504   -3.859617   -0.000090   -0.000024   -0.000032
Br   -1.743320   -1.082052   -0.462239   -0.000160    0.000016   -0.000164
Br   -2.169124    1.958238    3.336068    0.000136   -0.000026    0.000188
Br   -1.981512    5.880621   -0.008143    0.000078    0.000024    0.000040
Br    1.821540    2.142813   -0.961473   -0.000154    0.000034   -0.000018
Br   -1.826528    5.106681    6.861709    0.000040   -0.000016   -0.000004
Rb    1.583562    5.095094    7.137987    0.000026   -0.000084    0.000006
Br    5.006509    4.955306    7.048813    0.000018   -0.000128   -0.000026
Rb   -1.751114    1.714670    6.770638   -0.000038   -0.000032   -0.000048
Br    1.693659    1.602391    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151227    1.549011    6.947417   -0.000004   -0.000112   -0.000028
Br   -1.634525   -1.730200    6.684634   -0.000046   -0.000058    0.000052
Rb    1.837666   -1.897183    7.340014   -0.000094   -0.000048   -0.000016
Br    5.328801   -1.893580    6.898037   -0.000134   -0.000202    0.000062
Rb   -1.349099   -5.047307    6.195225   -0.000156    0.000022   -0.000010
Br    1.997013   -5.332869    6.508609   -0.000066   -0.000116   -0.000330
Rb    5.381300   -5.231534    6.394797   -0.000096   -0.000046    0.000044
Br   -1.333171   -5.018562    2.826345    0.000398   -0.000662   -0.000062
Rb    2.299491   -5.065683    2.968159   -0.001920   -0.001088    0.003284
Br    5.794867   -5.422838    3.042720   -0.000758   -0.000312   -0.000242
Rb   -1.094847   -4.492140   -0.618187   -0.000382    0.000354   -0.000008
Br    2.282646   -5.222620   -0.671630    0.001370   -0.002146    0.002294
Rb    5.738924   -4.977280   -0.414184    0.001248    0.000428   -0.000398
Br   -1.197168   -4.498559   -4.008111   -0.000080   -0.000070    0.000056
Rb    2.225412   -4.641041   -4.105195   -0.000118    0.000114   -0.000186
Br    5.636002   -4.658865   -3.825893   -0.000218   -0.000244    0.000022
O     0.452003    0.335859    1.433226   -0.000568    0.000166    0.000006
H     0.942682    0.970070    0.886415    0.010756   -0.011450   -0.003894
H    -0.209660   -0.054487    0.834242   -0.008448    0.008070    0.003964
O     3.357668    0.117275    1.605114   -0.000822   -0.004116    0.000514
H     4.029659    0.501877    2.196558    0.094206   -0.065742   -0.064176
H     2.865311   -0.510078    2.158506   -0.017256    0.050298    0.050632
O     0.216124    3.445603    1.842690   -0.002062   -0.000632   -0.000054
H     0.629954    4.078213    2.461652    0.060290   -0.124610    0.091848
H    -0.494135    2.996505    2.341367   -0.091896    0.038334   -0.086304
O     3.596363   -2.987261    1.191984    0.019218    0.003774    0.002346
H     4.426268   -2.586672    0.811777    0.819314   -0.326040    0.789614
H     3.095110   -3.445560    0.443707   -0.574358    1.173686   -0.861224
O     3.185125    3.384484    1.661871    0.000378    0.000182    0.000184
H     3.750759    3.994499    1.155068    0.023906   -0.026542   -0.006230
H     2.641971    2.929189    0.994713   -0.008444    0.005722    0.003430
O     0.621382   -2.932180    1.376673   -0.006566   -0.006666   -0.001612
H     1.177178   -2.478509    2.034873    0.074836   -0.026162   -0.053340
H     0.037442   -3.514708    1.897563   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171635    5.493453   -3.155231   -0.000068   -0.000148   -0.000036
Rb    5.562045   -1.266916   -3.730061   -0.000046   -0.000068    0.000140
Rb    5.409001   -1.938112    3.309043   -0.000528   -0.000670   -0.002760
Rb    4.900845    4.947396    3.658787    0.000138   -0.000148    0.000006
Rb    1.957713   -1.349240   -0.695798   -0.000560   -0.003518    0.000798
Rb    5.219383    1.852892   -0.105108    0.000074   -0.000224    0.000038
Rb    1.979622    2.349438   -4.303464   -0.000044   -0.000104    0.000026
Rb    1.844666    1.801978    3.734175   -0.000266    0.000320    0.000054
Rb    1.514921    5.519422    0.065052    0.000134    0.000094   -0.000400
Rb   -1.599683    2.395290   -0.272341   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687210   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339337   -1.092382   -3.904602   -0.000078    0.000030    0.000054
Rb   -1.410603   -1.403103    3.145666    0.000222   -0.000730   -0.000456
Rb   -1.930650    5.433370    3.450161   -0.000152   -0.000152    0.000028
Br    5.448765    2.177199   -3.644938   -0.000026   -0.000038   -0.000118
Br    5.986309   -1.504757   -0.295902   -0.001568    0.000622   -0.001544
Br    5.547330    1.538610    3.504516   -0.000256    0.000072    0.000142
Br    5.148486    5.467566    0.213717   -0.000050   -0.000024   -0.000024
Br    1.825451    5.787527   -3.475844   -0.000032   -0.000034    0.000010
Br    2.117462   -1.148847   -4.166492   -0.000174   -0.000142   -0.000138
Br    1.988017   -1.689783    3.998563    0.000066   -0.000176    0.000030
Br    1.525453    5.680931    3.705740   -0.000120    0.000172   -0.000244
Br   -1.512681    2.349507   -3.859614   -0.000090   -0.000024   -0.000032
Br   -1.743302   -1.082054   -0.462221   -0.000160    0.000016   -0.000164
Br   -2.169139    1.958241    3.336048    0.000136   -0.000026    0.000188
Br   -1.981521    5.880618   -0.008148    0.000078    0.000024    0.000040
Br    1.821557    2.142809   -0.961471   -0.000154    0.000034   -0.000018
Br   -1.826533    5.106683    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583559    5.095103    7.137986    0.000026   -0.000084    0.000006
Br    5.006507    4.955320    7.048816    0.000018   -0.000128   -0.000026
Rb   -1.751110    1.714673    6.770643   -0.000038   -0.000032   -0.000048
Br    1.693662    1.602397    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549024    6.947420   -0.000004   -0.000112   -0.000028
Br   -1.634520   -1.730193    6.684628   -0.000046   -0.000058    0.000052
Rb    1.837677   -1.897178    7.340016   -0.000094   -0.000048   -0.000016
Br    5.328815   -1.893558    6.898031   -0.000134   -0.000202    0.000062
Rb   -1.349082   -5.047310    6.195226   -0.000156    0.000022   -0.000010
Br    1.997020   -5.332857    6.508645   -0.000066   -0.000116   -0.000330
Rb    5.381310   -5.231529    6.394793   -0.000096   -0.000046    0.000044
Br   -1.333214   -5.018490    2.826351    0.000398   -0.000662   -0.000062
Rb    2.299700   -5.065565    2.967801   -0.001920   -0.001088    0.003284
Br    5.794949   -5.422804    3.042746   -0.000758   -0.000312   -0.000242
Rb   -1.094805   -4.492179   -0.618186   -0.000382    0.000354   -0.000008
Br    2.282497   -5.222387   -0.671880    0.001370   -0.002146    0.002294
Rb    5.738788   -4.977326   -0.414141    0.001248    0.000428   -0.000398
Br   -1.197160   -4.498551   -4.008117   -0.000080   -0.000070    0.000056
Rb    2.225425   -4.641053   -4.105175   -0.000118    0.000114   -0.000186
Br    5.636025   -4.658838   -3.825896   -0.000218   -0.000244    0.000022
O     0.452065    0.335841    1.433225   -0.000568    0.000166    0.000006
H     0.941510    0.971317    0.886840    0.010756   -0.011450   -0.003894
H    -0.208740   -0.055366    0.833810   -0.008448    0.008070    0.003964
O     3.357758    0.117724    1.605058   -0.000822   -0.004116    0.000514
H     4.019393    0.509041    2.203552    0.094206   -0.065742   -0.064176
H     2.867192   -0.515559    2.152989   -0.017256    0.050298    0.050632
O     0.216348    3.445672    1.842696   -0.002062   -0.000632   -0.000054
H     0.623384    4.091792    2.451643    0.060290   -0.124610    0.091848
H    -0.484121    2.992327    2.350772   -0.091896    0.038334   -0.086304
O     3.594269   -2.987673    1.191728    0.019218    0.003774    0.002346
H     4.336984   -2.551143    0.725730    0.819314   -0.326040    0.789614
H     3.157699   -3.573460    0.537558   -0.574358    1.173686   -0.861224
O     3.185084    3.384464    1.661851    0.000378    0.000182    0.000184
H     3.748154    3.997391    1.155747    0.023906   -0.026542   -0.006230
H     2.642892    2.928566    0.994340   -0.008444    0.005722    0.003430
O     0.622098   -2.931454    1.376849   -0.006566   -0.006666   -0.001612
H     1.169023   -2.475658    2.040685    0.074836   -0.026162   -0.053340
H     0.054633   -3.536153    1.888456   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171643    5.493471   -3.155227   -0.000068   -0.000148   -0.000036
Rb    5.562051   -1.266908   -3.730077   -0.000046   -0.000068    0.000140
Rb    5.409061   -1.938034    3.309361   -0.000528   -0.000670   -0.002760
Rb    4.900829    4.947414    3.658787    0.000138   -0.000148    0.000006
Rb    1.957777   -1.348834   -0.695890   -0.000560   -0.003518    0.000798
Rb    5.219375    1.852918   -0.105112    0.000074   -0.000224    0.000038
Rb    1.979628    2.349450   -4.303466   -0.000044   -0.000104    0.000026
Rb    1.844696    1.801942    3.734169   -0.000266    0.000320    0.000054
Rb    1.514905    5.519412    0.065098    0.000134    0.000094   -0.000400
Rb   -1.599683    2.395290   -0.272373   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687214   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339329   -1.092386   -3.904608   -0.000078    0.000030    0.000054
Rb   -1.410629   -1.403019    3.145718    0.000222   -0.000730   -0.000456
Rb   -1.930632    5.433388    3.450157   -0.000152   -0.000152    0.000028
Br    5.448767    2.177203   -3.644924   -0.000026   -0.000038   -0.000118
Br    5.986489   -1.504829   -0.295724   -0.001568    0.000622   -0.001544
Br    5.547360    1.538602    3.504500   -0.000256    0.000072    0.000142
Br    5.148492    5.467568    0.213719   -0.000050   -0.000024   -0.000024
Br    1.825455    5.787531   -3.475846   -0.000032   -0.000034    0.000010
Br    2.117482   -1.148831   -4.166476   -0.000174   -0.000142   -0.000138
Br    1.988009   -1.689763    3.998559    0.000066   -0.000176    0.000030
Br    1.525467    5.680911    3.705768   -0.000120    0.000172   -0.000244
Br   -1.512671    2.349509   -3.859610   -0.000090   -0.000024   -0.000032
Br   -1.743284   -1.082056   -0.462203   -0.000160    0.000016   -0.000164
Br   -2.169155    1.958243    3.336026    0.000136   -0.000026    0.000188
Br   -1.981529    5.880616   -0.008152    0.000078    0.000024    0.000040
Br    1.821575    2.142805   -0.961469   -0.000154    0.000034   -0.000018
Br   -1.826537    5.106685    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583557    5.095113    7.137986    0.000026   -0.000084    0.000006
Br    5.006505    4.955334    7.048818    0.000018   -0.000128   -0.000026
Rb   -1.751106    1.714677    6.770649   -0.000038   -0.000032   -0.000048
Br    1.693666    1.602403    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549036    6.947424   -0.000004   -0.000112   -0.000028
Br   -1.634514   -1.730187    6.684622   -0.000046   -0.000058    0.000052
Rb    1.837687   -1.897172    7.340018   -0.000094   -0.000048   -0.000016
Br    5.328831   -1.893534    6.898023   -0.000134   -0.000202    0.000062
Rb   -1.349064   -5.047312    6.195228   -0.000156    0.000022   -0.000010
Br    1.997028   -5.332843    6.508683   -0.000066   -0.000116   -0.000330
Rb    5.381322   -5.231523    6.394787   -0.000096   -0.000046    0.000044
Br   -1.333260   -5.018414    2.826359    0.000398   -0.000662   -0.000062
Rb    2.299922   -5.065439    2.967423   -0.001920   -0.001088    0.003284
Br    5.795037   -5.422768    3.042774   -0.000758   -0.000312   -0.000242
Rb   -1.094761   -4.492219   -0.618186   -0.000382    0.000354   -0.000008
Br    2.282339   -5.222139   -0.672144    0.001370   -0.002146    0.002294
Rb    5.738644   -4.977376   -0.414095    0.001248    0.000428   -0.000398
Br   -1.197150   -4.498543   -4.008123   -0.000080   -0.000070    0.000056
Rb    2.225439   -4.641067   -4.105153   -0.000118    0.000114   -0.000186
Br    5.636051   -4.658810   -3.825898   -0.000218   -0.000244    0.000022
O     0.452131    0.335821    1.433225   -0.000568    0.000166    0.000006
H     0.940270    0.972637    0.887288    0.010756   -0.011450   -0.003894
H    -0.207766   -0.056296    0.833354   -0.008448    0.008070    0.003964
O     3.357852    0.118198    1.604998   -0.000822   -0.004116    0.000514
H     4.008539    0.516615    2.210946    0.094206   -0.065742   -0.064176
H     2.869180   -0.521355    2.147155   -0.017256    0.050298    0.050632
O     0.216586    3.445744    1.842702   -0.002062   -0.000632   -0.000054
H     0.616438    4.106150    2.441061    0.060290   -0.124610    0.091848
H    -0.473533    2.987911    2.360716   -0.091896    0.038334   -0.086304
O     3.592055   -2.988107    1.191458    0.019218    0.003774    0.002346
H     4.242586   -2.513577    0.634754    0.819314   -0.326040    0.789614
H     3.223875   -3.708688    0.636784   -0.574358    1.173686   -0.861224
O     3.185040    3.384444    1.661829    0.000378    0.000182    0.000184
H     3.745400    4.000449    1.156465    0.023906   -0.026542   -0.006230
H     2.643864    2.927906    0.993944   -0.008444    0.005722    0.003430
O     0.622854   -2.930686    1.377035   -0.006566   -0.006666   -0.001612
H     1.160401   -2.472644    2.046831    0.074836   -0.026162   -0.053340
H     0.072807   -3.558825    1.878826   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171650    5.493487   -3.155223   -0.000068   -0.000148   -0.000036
Rb    5.562056   -1.266901   -3.730092   -0.000046   -0.000068    0.000140
Rb    5.409119   -1.937961    3.309662   -0.000528   -0.000670   -0.002760
Rb    4.900814    4.947430    3.658786    0.000138   -0.000148    0.000006
Rb    1.957838   -1.348451   -0.695977   -0.000560   -0.003518    0.000798
Rb    5.219367    1.852942   -0.105116    0.000074   -0.000224    0.000038
Rb    1.979632    2.349461   -4.303469   -0.000044   -0.000104    0.000026
Rb    1.844725    1.801907    3.734163   -0.000266    0.000320    0.000054
Rb    1.514891    5.519401    0.065142    0.000134    0.000094   -0.000400
Rb   -1.599682    2.395290   -0.272403   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687219   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339320   -1.092389   -3.904614   -0.000078    0.000030    0.000054
Rb   -1.410653   -1.402939    3.145768    0.000222   -0.000730   -0.000456
Rb   -1.930616    5.433404    3.450154   -0.000152   -0.000152    0.000028
Br    5.448770    2.177207   -3.644911   -0.000026   -0.000038   -0.000118
Br    5.986660   -1.504897   -0.295556   -0.001568    0.000622   -0.001544
Br    5.547388    1.538594    3.504484   -0.000256    0.000072    0.000142
Br    5.148497    5.467571    0.213722   -0.000050   -0.000024   -0.000024
Br    1.825458    5.787535   -3.475847   -0.000032   -0.000034    0.000010
Br    2.117501   -1.148815   -4.166461   -0.000174   -0.000142   -0.000138
Br    1.988002   -1.689744    3.998556    0.000066   -0.000176    0.000030
Br    1.525480    5.680892    3.705795   -0.000120    0.000172   -0.000244
Br   -1.512661    2.349512   -3.859607   -0.000090   -0.000024   -0.000032
Br   -1.743266   -1.082058   -0.462185   -0.000160    0.000016   -0.000164
Br   -2.169170    1.958246    3.336006    0.000136   -0.000026    0.000188
Br   -1.981538    5.880613   -0.008157    0.000078    0.000024    0.000040
Br    1.821592    2.142801   -0.961467   -0.000154    0.000034   -0.000018
Br   -1.826542    5.106687    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583554    5.095122    7.137985    0.000026   -0.000084    0.000006
Br    5.006503    4.955348    7.048821    0.000018   -0.000128   -0.000026
Rb   -1.751102    1.714680    6.770654   -0.000038   -0.000032   -0.000048
Br    1.693669    1.602409    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549049    6.947427   -0.000004   -0.000112   -0.000028
Br   -1.634509   -1.730180    6.684616   -0.000046   -0.000058    0.000052
Rb    1.837698   -1.897167    7.340020   -0.000094   -0.000048   -0.000016
Br    5.328845   -1.893512    6.898017   -0.000134   -0.000202    0.000062
Rb   -1.349047   -5.047315    6.195229   -0.000156    0.000022   -0.000010
Br    1.997035   -5.332831    6.508719   -0.000066   -0.000116   -0.000330
Rb    5.381332   -5.231518    6.394783   -0.000096   -0.000046    0.000044
Br   -1.333303   -5.018342    2.826365    0.000398   -0.000662   -0.000062
Rb    2.300131   -5.065321    2.967065   -0.001920   -0.001088    0.003284
Br    5.795119   -5.422734    3.042800   -0.000758   -0.000312   -0.000242
Rb   -1.094719   -4.492258   -0.618185   -0.000382    0.000354   -0.000008
Br    2.282190   -5.221906   -0.672394    0.001370   -0.002146    0.002294
Rb    5.738508   -4.977422   -0.414052    0.001248    0.000428   -0.000398
Br   -1.197142   -4.498535   -4.008129   -0.000080   -0.000070    0.000056
Rb    2.225452   -4.641079   -4.105133   -0.000118    0.000114   -0.000186
Br    5.636074   -4.658783   -3.825901   -0.000218   -0.000244    0.000022
O     0.452193    0.335803    1.433224   -0.000568    0.000166    0.000006
H     0.939098    0.973884    0.887713    0.010756   -0.011450   -0.003894
H    -0.206846   -0.057175    0.832922   -0.008448    0.008070    0.003964
O     3.357942    0.118647    1.604942   -0.000822   -0.004116    0.000514
H     3.998273    0.523779    2.217940    0.094206   -0.065742   -0.064176
H     2.871061   -0.526836    2.141638   -0.017256    0.050298    0.050632
O     0.216810    3.445813    1.842708   -0.002062   -0.000632   -0.000054
H     0.609868    4.119729    2.431052    0.060290   -0.124610    0.091848
H    -0.463519    2.983733    2.370121   -0.091896    0.038334   -0.086304
O     3.589961   -2.988519    1.191202    0.019218    0.003774    0.002346
H     4.153302   -2.478048    0.548707    0.819314   -0.326040    0.789614
H     3.286464   -3.836588    0.730635   -0.574358    1.173686   -0.861224
O     3.184999    3.384424    1.661809    0.000378    0.000182    0.000184
H     3.742795    4.003341    1.157144    0.023906   -0.026542   -0.006230
H     2.644785    2.927283    0.993571   -0.008444    0.005722    0.003430
O     0.623570   -2.929960    1.377211   -0.006566   -0.006666   -0.001612
H     1.152246   -2.469793    2.052643    0.074836   -0.026162   -0.053340
H     0.089998   -3.580270    1.869719   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171657    5.493500   -3.155220   -0.000068   -0.000148   -0.000036
Rb    5.562060   -1.266894   -3.730105   -0.000046   -0.000068    0.000140
Rb    5.409167   -1.937900    3.309913   -0.000528   -0.000670   -0.002760
Rb    4.900801    4.947443    3.658785    0.000138   -0.000148    0.000006
Rb    1.957889   -1.348131   -0.696049   -0.000560   -0.003518    0.000798
Rb    5.219360    1.852963   -0.105120    0.000074   -0.000224    0.000038
Rb    1.979636    2.349471   -4.303472   -0.000044   -0.000104    0.000026
Rb    1.844749    1.801878    3.734158   -0.000266    0.000320    0.000054
Rb    1.514878    5.519393    0.065178    0.000134    0.000094   -0.000400
Rb   -1.599681    2.395290   -0.272428   -0.000006    0.000000    0.000276
Rb   -1.558913    5.687222   -3.359764    0.000002   -0.000040   -0.000002
Rb   -1.339313   -1.092392   -3.904619   -0.000078    0.000030    0.000054
Rb   -1.410673   -1.402873    3.145809    0.000222   -0.000730   -0.000456
Rb   -1.930602    5.433418    3.450152   -0.000152   -0.000152    0.000028
Br    5.448773    2.177211   -3.644901   -0.000026   -0.000038   -0.000118
Br    5.986803   -1.504953   -0.295415   -0.001568    0.000622   -0.001544
Br    5.547411    1.538587    3.504471   -0.000256    0.000072    0.000142
Br    5.148502    5.467573    0.213724   -0.000050   -0.000024   -0.000024
Br    1.825461    5.787538   -3.475848   -0.000032   -0.000034    0.000010
Br    2.117517   -1.148802   -4.166448   -0.000174   -0.000142   -0.000138
Br    1.987996   -1.689728    3.998553    0.000066   -0.000176    0.000030
Br    1.525491    5.680877    3.705817   -0.000120    0.000172   -0.000244
Br   -1.512653    2.349514   -3.859604   -0.000090   -0.000024   -0.000032
Br   -1.743252   -1.082059   -0.462170   -0.000160    0.000016   -0.000164
Br   -2.169182    1.958249    3.335989    0.000136   -0.000026    0.000188
Br   -1.981545    5.880611   -0.008160    0.000078    0.000024    0.000040
Br    1.821606    2.142798   -0.961465   -0.000154    0.000034   -0.000018
Br   -1.826545    5.106688    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583551    5.095130    7.137984    0.000026   -0.000084    0.000006
Br    5.006501    4.955360    7.048824    0.000018   -0.000128   -0.000026
Rb   -1.751098    1.714683    6.770658   -0.000038   -0.000032   -0.000048
Br    1.693671    1.602414    7.205027   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549059    6.947429   -0.000004   -0.000112   -0.000028
Br   -1.634505   -1.730175    6.684612   -0.000046   -0.000058    0.000052
Rb    1.837706   -1.897163    7.340021   -0.000094   -0.000048   -0.000016
Br    5.328858   -1.893494    6.898011   -0.000134   -0.000202    0.000062
Rb   -1.349033   -5.047317    6.195230   -0.000156    0.000022   -0.000010
Br    1.997041   -5.332820    6.508749   -0.000066   -0.000116   -0.000330
Rb    5.381341   -5.231514    6.394779   -0.000096   -0.000046    0.000044
Br   -1.333339   -5.018282    2.826371    0.000398   -0.000662   -0.000062
Rb    2.300305   -5.065222    2.966766   -0.001920   -0.001088    0.003284
Br    5.795188   -5.422706    3.042822   -0.000758   -0.000312   -0.000242
Rb   -1.094685   -4.492290   -0.618184   -0.000382    0.000354   -0.000008
Br    2.282065   -5.221710   -0.672603    0.001370   -0.002146    0.002294
Rb    5.738395   -4.977461   -0.414016    0.001248    0.000428   -0.000398
Br   -1.197134   -4.498529   -4.008134   -0.000080   -0.000070    0.000056
Rb    2.225462   -4.641089   -4.105116   -0.000118    0.000114   -0.000186
Br    5.636094   -4.658761   -3.825903   -0.000218   -0.000244    0.000022
O     0.452244    0.335788    1.433223   -0.000568    0.000166    0.000006
H     0.938120    0.974925    0.888067    0.010756   -0.011450   -0.003894
H    -0.206078   -0.057909    0.832561   -0.008448    0.008070    0.003964
O     3.358017    0.119021    1.604896   -0.000822   -0.004116    0.000514
H     3.989708    0.529757    2.223775    0.094206   -0.065742   -0.064176
H     2.872629   -0.531409    2.137034   -0.017256    0.050298    0.050632
O     0.216998    3.445871    1.842713   -0.002062   -0.000632   -0.000054
H     0.604386    4.131058    2.422701    0.060290   -0.124610    0.091848
H    -0.455163    2.980248    2.377968   -0.091896    0.038334   -0.086304
O     3.588213   -2.988862    1.190989    0.019218    0.003774    0.002346
H     4.078809   -2.448404    0.476914    0.819314   -0.326040    0.789614
H     3.338686   -3.943302    0.808939   -0.574358    1.173686   -0.861224
O     3.184965    3.384407    1.661793    0.000378    0.000182    0.000184
H     3.740621    4.005755    1.157710    0.023906   -0.026542   -0.006230
H     2.645552    2.926763    0.993259   -0.008444    0.005722    0.003430
O     0.624167   -2.929353    1.377357   -0.006566   -0.006666   -0.001612
H     1.145441   -2.467414    2.057493    0.074836   -0.026162   -0.053340
H     0.104340   -3.598162    1.862120   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171661    5.493509   -3.155217   -0.000068   -0.000148   -0.000036
Rb    5.562063   -1.266890   -3.730114   -0.000046   -0.000068    0.000140
Rb    5.409200   -1.937858    3.310087   -0.000528   -0.000670   -0.002760
Rb    4.900793    4.947452    3.658785    0.000138   -0.000148    0.000006
Rb    1.957924   -1.347909   -0.696100   -0.000560   -0.003518    0.000798
Rb    5.219355    1.852977   -0.105122    0.000074   -0.000224    0.000038
Rb    1.979639    2.349477   -4.303473   -0.000044   -0.000104    0.000026
Rb    1.844766    1.801857    3.734155   -0.000266    0.000320    0.000054
Rb    1.514870    5.519387    0.065203    0.000134    0.000094   -0.000400
Rb   -1.599681    2.395290   -0.272445   -0.000006    0.000000    0.000276
Rb   -1.558913    5.687225   -3.359764    0.000002   -0.000040   -0.000002
Rb   -1.339308   -1.092394   -3.904622   -0.000078    0.000030    0.000054
Rb   -1.410687   -1.402827    3.145838    0.000222   -0.000730   -0.000456
Rb   -1.930592    5.433428    3.450150   -0.000152   -0.000152    0.000028
Br    5.448774    2.177213   -3.644893   -0.000026   -0.000038   -0.000118
Br    5.986902   -1.504992   -0.295318   -0.001568    0.000622   -0.001544
Br    5.547427    1.538583    3.504462   -0.000256    0.000072    0.000142
Br    5.148505    5.467575    0.213726   -0.000050   -0.000024   -0.000024
Br    1.825463    5.787540   -3.475848   -0.000032   -0.000034    0.000010
Br    2.117528   -1.148793   -4.166440   -0.000174   -0.000142   -0.000138
Br    1.987992   -1.689717    3.998551    0.000066   -0.000176    0.000030
Br    1.525498    5.680866    3.705832   -0.000120    0.000172   -0.000244
Br   -1.512647    2.349516   -3.859602   -0.000090   -0.000024   -0.000032
Br   -1.743242   -1.082060   -0.462159   -0.000160    0.000016   -0.000164
Br   -2.169191    1.958250    3.335977    0.000136   -0.000026    0.000188
Br   -1.981550    5.880609   -0.008163    0.000078    0.000024    0.000040
Br    1.821615    2.142796   -0.961464   -0.000154    0.000034   -0.000018
Br   -1.826548    5.106689    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583550    5.095135    7.137984    0.000026   -0.000084    0.000006
Br    5.006500    4.955368    7.048825    0.000018   -0.000128   -0.000026
Rb   -1.751096    1.714685    6.770661   -0.000038   -0.000032   -0.000048
Br    1.693673    1.602418    7.205027   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549066    6.947431   -0.000004   -0.000112   -0.000028
Br   -1.634502   -1.730171    6.684608   -0.000046   -0.000058    0.000052
Rb    1.837712   -1.897160    7.340022   -0.000094   -0.000048   -0.000016
Br    5.328866   -1.893481    6.898007   -0.000134   -0.000202    0.000062
Rb   -1.349023   -5.047318    6.195230   -0.000156    0.000022   -0.000010
Br    1.997045   -5.332813    6.508770   -0.000066   -0.000116   -0.000330
Rb    5.381347   -5.231511    6.394776   -0.000096   -0.000046    0.000044
Br   -1.333365   -5.018240    2.826375    0.000398   -0.000662   -0.000062
Rb    2.300426   -5.065153    2.966559   -0.001920   -0.001088    0.003284
Br    5.795236   -5.422686    3.042838   -0.000758   -0.000312   -0.000242
Rb   -1.094661   -4.492312   -0.618183   -0.000382    0.000354   -0.000008
Br    2.281979   -5.221575   -0.672747    0.001370   -0.002146    0.002294
Rb    5.738316   -4.977488   -0.413990    0.001248    0.000428   -0.000398
Br   -1.197129   -4.498525   -4.008138   -0.000080   -0.000070    0.000056
Rb    2.225470   -4.641097   -4.105104   -0.000118    0.000114   -0.000186
Br    5.636108   -4.658746   -3.825904   -0.000218   -0.000244    0.000022
O     0.452280    0.335778    1.433223   -0.000568    0.000166    0.000006
H     0.937442    0.975647    0.888312    0.010756   -0.011450   -0.003894
H    -0.205545   -0.058418    0.832311   -0.008448    0.008070    0.003964
O     3.358068    0.119280    1.604863   -0.000822   -0.004116    0.000514
H     3.983771    0.533900    2.227819    0.094206   -0.065742   -0.064176
H     2.873717   -0.534579    2.133843   -0.017256    0.050298    0.050632
O     0.217128    3.445911    1.842716   -0.002062   -0.000632   -0.000054
H     0.600587    4.138911    2.416913    0.060290   -0.124610    0.091848
H    -0.449372    2.977832    2.383406   -0.091896    0.038334   -0.086304
O     3.587002   -2.989100    1.190841    0.019218    0.003774    0.002346
H     4.027178   -2.427857    0.427154    0.819314   -0.326040    0.789614
H     3.374881   -4.017265    0.863211   -0.574358    1.173686   -0.861224
O     3.184941    3.384396    1.661781    0.000378    0.000182    0.000184
H     3.739115    4.007427    1.158103    0.023906   -0.026542   -0.006230
H     2.646084    2.926402    0.993043   -0.008444    0.005722    0.003430
O     0.624581   -2.928933    1.377459   -0.006566   -0.006666   -0.001612
H     1.140726   -2.465766    2.060855    0.074836   -0.026162   -0.053340
H     0.114281   -3.610562    1.856853   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171663    5.493514   -3.155216   -0.000068   -0.000148   -0.000036
Rb    5.562064   -1.266888   -3.730118   -0.000046   -0.000068    0.000140
Rb    5.409215   -1.937839    3.310165   -0.000528   -0.000670   -0.002760
Rb    4.900789    4.947457    3.658785    0.000138   -0.000148    0.000006
Rb    1.957940   -1.347810   -0.696122   -0.000560   -0.003518    0.000798
Rb    5.219353    1.852983   -0.105123    0.000074   -0.000224    0.000038
Rb    1.979640    2.349480   -4.303474   -0.000044   -0.000104    0.000026
Rb    1.844774    1.801848    3.734153   -0.000266    0.000320    0.000054
Rb    1.514866    5.519384    0.065215    0.000134    0.000094   -0.000400
Rb   -1.599681    2.395290   -0.272453   -0.000006    0.000000    0.000276
Rb   -1.558913    5.687226   -3.359764    0.000002   -0.000040   -0.000002
Rb   -1.339306   -1.092394   -3.904624   -0.000078    0.000030    0.000054
Rb   -1.410693   -1.402806    3.145851    0.000222   -0.000730   -0.000456
Rb   -1.930588    5.433432    3.450149   -0.000152   -0.000152    0.000028
Br    5.448775    2.177214   -3.644890   -0.000026   -0.000038   -0.000118
Br    5.986946   -1.505010   -0.295274   -0.001568    0.000622   -0.001544
Br    5.547434    1.538581    3.504458   -0.000256    0.000072    0.000142
Br    5.148506    5.467575    0.213726   -0.000050   -0.000024   -0.000024
Br    1.825464    5.787541   -3.475848   -0.000032   -0.000034    0.000010
Br    2.117533   -1.148789   -4.166436   -0.000174   -0.000142   -0.000138
Br    1.987990   -1.689712    3.998551    0.000066   -0.000176    0.000030
Br    1.525502    5.680861    3.705839   -0.000120    0.000172   -0.000244
Br   -1.512645    2.349516   -3.859601   -0.000090   -0.000024   -0.000032
Br   -1.743237   -1.082061   -0.462155   -0.000160    0.000016   -0.000164
Br   -2.169194    1.958251    3.335971    0.000136   -0.000026    0.000188
Br   -1.981552    5.880609   -0.008164    0.000078    0.000024    0.000040
Br    1.821620    2.142795   -0.961464   -0.000154    0.000034   -0.000018
Br   -1.826549    5.106690    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583549    5.095137    7.137984    0.000026   -0.000084    0.000006
Br    5.006500    4.955372    7.048826    0.000018   -0.000128   -0.000026
Rb   -1.751095    1.714686    6.770663   -0.000038   -0.000032   -0.000048
Br    1.693674    1.602420    7.205027   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549069    6.947432   -0.000004   -0.000112   -0.000028
Br   -1.634501   -1.730170    6.684607   -0.000046   -0.000058    0.000052
Rb    1.837715   -1.897158    7.340023   -0.000094   -0.000048   -0.000016
Br    5.328870   -1.893476    6.898005   -0.000134   -0.000202    0.000062
Rb   -1.349019   -5.047319    6.195230   -0.000156    0.000022   -0.000010
Br    1.997047   -5.332810    6.508779   -0.000066   -0.000116   -0.000330
Rb    5.381349   -5.231510    6.394775   -0.000096   -0.000046    0.000044
Br   -1.333376   -5.018221    2.826377    0.000398   -0.000662   -0.000062
Rb    2.300481   -5.065123    2.966467   -0.001920   -0.001088    0.003284
Br    5.795257   -5.422677    3.042844   -0.000758   -0.000312   -0.000242
Rb   -1.094650   -4.492322   -0.618183   -0.000382    0.000354   -0.000008
Br    2.281940   -5.221514   -0.672812    0.001370   -0.002146    0.002294
Rb    5.738281   -4.977500   -0.413979    0.001248    0.000428   -0.000398
Br   -1.197127   -4.498523   -4.008140   -0.000080   -0.000070    0.000056
Rb    2.225473   -4.641100   -4.105099   -0.000118    0.000114   -0.000186
Br    5.636114   -4.658739   -3.825905   -0.000218   -0.000244    0.000022
O     0.452296    0.335773    1.433223   -0.000568    0.000166    0.000006
H     0.937138    0.975971    0.888422    0.010756   -0.011450   -0.003894
H    -0.205306   -0.058646    0.832199   -0.008448    0.008070    0.003964
O     3.358092    0.119397    1.604849   -0.000822   -0.004116    0.000514
H     3.981107    0.535759    2.229634    0.094206   -0.065742   -0.064176
H     2.874205   -0.536001    2.132411   -0.017256    0.050298    0.050632
O     0.217186    3.445928    1.842718   -0.002062   -0.000632   -0.000054
H     0.598882    4.142436    2.414315    0.060290   -0.124610    0.091848
H    -0.446773    2.976748    2.385847   -0.091896    0.038334   -0.086304
O     3.586459   -2.989206    1.190775    0.019218    0.003774    0.002346
H     4.004005   -2.418636    0.404821    0.819314   -0.326040    0.789614
H     3.391126   -4.050461    0.887570   -0.574358    1.173686   -0.861224
O     3.184930    3.384391    1.661776    0.000378    0.000182    0.000184
H     3.738438    4.008178    1.158279    0.023906   -0.026542   -0.006230
H     2.646323    2.926240    0.992946   -0.008444    0.005722    0.003430
O     0.624766   -2.928745    1.377504   -0.006566   -0.006666   -0.001612
H     1.138609   -2.465026    2.062363    0.074836   -0.026162   -0.053340
H     0.118743   -3.616128    1.854489   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171662    5.493512   -3.155217   -0.000068   -0.000148   -0.000036
Rb    5.562064   -1.266889   -3.730117   -0.000046   -0.000068    0.000140
Rb    5.409210   -1.937846    3.310138   -0.000528   -0.000670   -0.002760
Rb    4.900790    4.947455    3.658785    0.000138   -0.000148    0.000006
Rb    1.957935   -1.347843   -0.696115   -0.000560   -0.003518    0.000798
Rb    5.219354    1.852981   -0.105123    0.000074   -0.000224    0.000038
Rb    1.979640    2.349479   -4.303474   -0.000044   -0.000104    0.000026
Rb    1.844771    1.801851    3.734154   -0.000266    0.000320    0.000054
Rb    1.514868    5.519385    0.065211    0.000134    0.000094   -0.000400
Rb   -1.599681    2.395290   -0.272451   -0.000006    0.000000    0.000276
Rb   -1.558913    5.687226   -3.359764    0.000002   -0.000040   -0.000002
Rb   -1.339307   -1.092394   -3.904623   -0.000078    0.000030    0.000054
Rb   -1.410691   -1.402813    3.145847    0.000222   -0.000730   -0.000456
Rb   -1.930589    5.433431    3.450149   -0.000152   -0.000152    0.000028
Br    5.448775    2.177214   -3.644891   -0.000026   -0.000038   -0.000118
Br    5.986931   -1.505004   -0.295289   -0.001568    0.000622   -0.001544
Br    5.547432    1.538582    3.504460   -0.000256    0.000072    0.000142
Br    5.148506    5.467575    0.213726   -0.000050   -0.000024   -0.000024
Br    1.825464    5.787541   -3.475848   -0.000032   -0.000034    0.000010
Br    2.117531   -1.148791   -4.166437   -0.000174   -0.000142   -0.000138
Br    1.987991   -1.689713    3.998551    0.000066   -0.000176    0.000030
Br    1.525501    5.680863    3.705837   -0.000120    0.000172   -0.000244
Br   -1.512645    2.349516   -3.859601   -0.000090   -0.000024   -0.000032
Br   -1.743239   -1.082060   -0.462156   -0.000160    0.000016   -0.000164
Br   -2.169193    1.958251    3.335973    0.000136   -0.000026    0.000188
Br   -1.981551    5.880609   -0.008164    0.000078    0.000024    0.000040
Br    1.821618    2.142795   -0.961464   -0.000154    0.000034   -0.000018
Br   -1.826549    5.106689    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583549    5.095137    7.137984    0.000026   -0.000084    0.000006
Br    5.006500    4.955370    7.048826    0.000018   -0.000128   -0.000026
Rb   -1.751095    1.714686    6.770662   -0.000038   -0.000032   -0.000048
Br    1.693674    1.602419    7.205027   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549068    6.947432   -0.000004   -0.000112   -0.000028
Br   -1.634501   -1.730170    6.684607   -0.000046   -0.000058    0.000052
Rb    1.837714   -1.897159    7.340022   -0.000094   -0.000048   -0.000016
Br    5.328868   -1.893477    6.898006   -0.000134   -0.000202    0.000062
Rb   -1.349020   -5.047318    6.195230   -0.000156    0.000022   -0.000010
Br    1.997046   -5.332811    6.508776   -0.000066   -0.000116   -0.000330
Rb    5.381349   -5.231510    6.394775   -0.000096   -0.000046    0.000044
Br   -1.333372   -5.018227    2.826376    0.000398   -0.000662   -0.000062
Rb    2.300462   -5.065133    2.966498   -0.001920   -0.001088    0.003284
Br    5.795250   -5.422680    3.042842   -0.000758   -0.000312   -0.000242
Rb   -1.094653   -4.492319   -0.618183   -0.000382    0.000354   -0.000008
Br    2.281953   -5.221535   -0.672790    0.001370   -0.002146    0.002294
Rb    5.738293   -4.977496   -0.413983    0.001248    0.000428   -0.000398
Br   -1.197128   -4.498523   -4.008139   -0.000080   -0.000070    0.000056
Rb    2.225472   -4.641099   -4.105101   -0.000118    0.000114   -0.000186
Br    5.636112   -4.658741   -3.825904   -0.000218   -0.000244    0.000022
O     0.452291    0.335775    1.433223   -0.000568    0.000166    0.000006
H     0.937241    0.975862    0.888385    0.010756   -0.011450   -0.003894
H    -0.205387   -0.058569    0.832237   -0.008448    0.008070    0.003964
O     3.358084    0.119358    1.604854   -0.000822   -0.004116    0.000514
H     3.982003    0.535134    2.229023    0.094206   -0.065742   -0.064176
H     2.874041   -0.535523    2.132893   -0.017256    0.050298    0.050632
O     0.217167    3.445922    1.842717   -0.002062   -0.000632   -0.000054
H     0.599455    4.141250    2.415189    0.060290   -0.124610    0.091848
H    -0.447648    2.977113    2.385026   -0.091896    0.038334   -0.086304
O     3.586642   -2.989170    1.190797    0.019218    0.003774    0.002346
H     4.011800   -2.421738    0.412334    0.819314   -0.326040    0.789614
H     3.385661   -4.039294    0.879376   -0.574358    1.173686   -0.861224
O     3.184934    3.384392    1.661778    0.000378    0.000182    0.000184
H     3.738666    4.007925    1.158220    0.023906   -0.026542   -0.006230
H     2.646243    2.926295    0.992978   -0.008444    0.005722    0.003430
O     0.624704   -2.928808    1.377489   -0.006566   -0.006666   -0.001612
H     1.139321   -2.465274    2.061856    0.074836   -0.026162   -0.053340
H     0.117242   -3.614256    1.855284   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171659    5.493505   -3.155218   -0.000068   -0.000148   -0.000036
Rb    5.562061   -1.266892   -3.730110   -0.000046   -0.000068    0.000140
Rb    5.409186   -1.937877    3.310011   -0.000528   -0.000670   -0.002760
Rb    4.900797    4.947448    3.658785    0.000138   -0.000148    0.000006
Rb    1.957909   -1.348006   -0.696078   -0.000560   -0.003518    0.000798
Rb    5.219357    1.852971   -0.105121    0.000074   -0.000224    0.000038
Rb    1.979638    2.349474   -4.303473   -0.000044   -0.000104    0.000026
Rb    1.844759    1.801866    3.734156   -0.000266    0.000320    0.000054
Rb    1.514874    5.519389    0.065192    0.000134    0.000094   -0.000400
Rb   -1.599681    2.395290   -0.272438   -0.000006    0.000000    0.000276
Rb   -1.558913    5.687224   -3.359764    0.000002   -0.000040   -0.000002
Rb   -1.339310   -1.092393   -3.904621   -0.000078    0.000030    0.000054
Rb   -1.410681   -1.402847    3.145826    0.000222   -0.000730   -0.000456
Rb   -1.930596    5.433424    3.450151   -0.000152   -0.000152    0.000028
Br    5.448774    2.177212   -3.644896   -0.000026   -0.000038   -0.000118
Br    5.986858   -1.504975   -0.295361   -0.001568    0.000622   -0.001544
Br    5.547420    1.538585    3.504466   -0.000256    0.000072    0.000142
Br    5.148504    5.467574    0.213725   -0.000050   -0.000024   -0.000024
Br    1.825462    5.787539   -3.475848   -0.000032   -0.000034    0.000010
Br    2.117523   -1.148797   -4.166444   -0.000174   -0.000142   -0.000138
Br    1.987994   -1.689721    3.998552    0.000066   -0.000176    0.000030
Br    1.525495    5.680871    3.705825   -0.000120    0.000172   -0.000244
Br   -1.512650    2.349515   -3.859603   -0.000090   -0.000024   -0.000032
Br   -1.743246   -1.082060   -0.462164   -0.000160    0.000016   -0.000164
Br   -2.169187    1.958250    3.335982    0.000136   -0.000026    0.000188
Br   -1.981548    5.880610   -0.008162    0.000078    0.000024    0.000040
Br    1.821611    2.142797   -0.961465   -0.000154    0.000034   -0.000018
Br   -1.826547    5.106689    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583550    5.095133    7.137984    0.000026   -0.000084    0.000006
Br    5.006501    4.955365    7.048825    0.000018   -0.000128   -0.000026
Rb   -1.751097    1.714684    6.770660   -0.000038   -0.000032   -0.000048
Br    1.693672    1.602416    7.205027   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549063    6.947430   -0.000004   -0.000112   -0.000028
Br   -1.634504   -1.730173    6.684610   -0.000046   -0.000058    0.000052
Rb    1.837710   -1.897161    7.340022   -0.000094   -0.000048   -0.000016
Br    5.328862   -1.893487    6.898009   -0.000134   -0.000202    0.000062
Rb   -1.349027   -5.047317    6.195230   -0.000156    0.000022   -0.000010
Br    1.997043   -5.332816    6.508761   -0.000066   -0.000116   -0.000330
Rb    5.381344   -5.231513    6.394777   -0.000096   -0.000046    0.000044
Br   -1.333354   -5.018258    2.826373    0.000398   -0.000662   -0.000062
Rb    2.300374   -5.065183    2.966650   -0.001920   -0.001088    0.003284
Br    5.795215   -5.422695    3.042831   -0.000758   -0.000312   -0.000242
Rb   -1.094671   -4.492303   -0.618184   -0.000382    0.000354   -0.000008
Br    2.282017   -5.221634   -0.672684    0.001370   -0.002146    0.002294
Rb    5.738350   -4.977476   -0.414001    0.001248    0.000428   -0.000398
Br   -1.197132   -4.498526   -4.008136   -0.000080   -0.000070    0.000056
Rb    2.225467   -4.641093   -4.105110   -0.000118    0.000114   -0.000186
Br    5.636102   -4.658753   -3.825903   -0.000218   -0.000244    0.000022
O     0.452264    0.335782    1.433223   -0.000568    0.000166    0.000006
H     0.937738    0.975332    0.888205    0.010756   -0.011450   -0.003894
H    -0.205778   -0.058196    0.832421   -0.008448    0.008070    0.003964
O     3.358046    0.119167    1.604877   -0.000822   -0.004116    0.000514
H     3.986363    0.532091    2.226053    0.094206   -0.065742   -0.064176
H     2.873242   -0.533195    2.135236   -0.017256    0.050298    0.050632
O     0.217071    3.445893    1.842715   -0.002062   -0.000632   -0.000054
H     0.602246    4.135483    2.419440    0.060290   -0.124610    0.091848
H    -0.451901    2.978887    2.381032   -0.091896    0.038334   -0.086304
O     3.587531   -2.988996    1.190906    0.019218    0.003774    0.002346
H     4.049719   -2.436828    0.448879    0.819314   -0.326040    0.789614
H     3.359079   -3.984974    0.839517   -0.574358    1.173686   -0.861224
O     3.184951    3.384401    1.661786    0.000378    0.000182    0.000184
H     3.739772    4.006697    1.157931    0.023906   -0.026542   -0.006230
H     2.645852    2.926559    0.993137   -0.008444    0.005722    0.003430
O     0.624400   -2.929117    1.377414   -0.006566   -0.006666   -0.001612
H     1.142784   -2.466485    2.059387    0.074836   -0.026162   -0.053340
H     0.109941   -3.605148    1.859153   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171654    5.493494   -3.155221   -0.000068   -0.000148   -0.000036
Rb    5.562058   -1.266897   -3.730099   -0.000046   -0.000068    0.000140
Rb    5.409145   -1.937929    3.309795   -0.000528   -0.000670   -0.002760
Rb    4.900807    4.947437    3.658786    0.000138   -0.000148    0.000006
Rb    1.957865   -1.348281   -0.696016   -0.000560   -0.003518    0.000798
Rb    5.219363    1.852953   -0.105118    0.000074   -0.000224    0.000038
Rb    1.979634    2.349466   -4.303471   -0.000044   -0.000104    0.000026
Rb    1.844738    1.801891    3.734160   -0.000266    0.000320    0.000054
Rb    1.514884    5.519397    0.065161    0.000134    0.000094   -0.000400
Rb   -1.599682    2.395290   -0.272416   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687221   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339316   -1.092390   -3.904617   -0.000078    0.000030    0.000054
Rb   -1.410664   -1.402904    3.145790    0.000222   -0.000730   -0.000456
Rb   -1.930608    5.433412    3.450153   -0.000152   -0.000152    0.000028
Br    5.448772    2.177209   -3.644906   -0.000026   -0.000038   -0.000118
Br    5.986736   -1.504927   -0.295481   -0.001568    0.000622   -0.001544
Br    5.547400    1.538591    3.504477   -0.000256    0.000072    0.000142
Br    5.148500    5.467572    0.213723   -0.000050   -0.000024   -0.000024
Br    1.825460    5.787536   -3.475847   -0.000032   -0.000034    0.000010
Br    2.117509   -1.148808   -4.166454   -0.000174   -0.000142   -0.000138
Br    1.987999   -1.689735    3.998555    0.000066   -0.000176    0.000030
Br    1.525486    5.680884    3.705806   -0.000120    0.000172   -0.000244
Br   -1.512657    2.349513   -3.859605   -0.000090   -0.000024   -0.000032
Br   -1.743259   -1.082058   -0.462177   -0.000160    0.000016   -0.000164
Br   -2.169176    1.958248    3.335997    0.000136   -0.000026    0.000188
Br   -1.981542    5.880612   -0.008159    0.000078    0.000024    0.000040
Br    1.821599    2.142800   -0.961466   -0.000154    0.000034   -0.000018
Br   -1.826544    5.106687    6.861711    0.000040   -0.000016   -0.000004
Rb    1.583552    5.095126    7.137985    0.000026   -0.000084    0.000006
Br    5.006502    4.955355    7.048823    0.000018   -0.000128   -0.000026
Rb   -1.751100    1.714682    6.770656   -0.000038   -0.000032   -0.000048
Br    1.693670    1.602412    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151229    1.549054    6.947428   -0.000004   -0.000112   -0.000028
Br   -1.634507   -1.730178    6.684614   -0.000046   -0.000058    0.000052
Rb    1.837702   -1.897165    7.340020   -0.000094   -0.000048   -0.000016
Br    5.328852   -1.893503    6.898014   -0.000134   -0.000202    0.000062
Rb   -1.349039   -5.047316    6.195229   -0.000156    0.000022   -0.000010
Br    1.997038   -5.332825    6.508735   -0.000066   -0.000116   -0.000330
Rb    5.381337   -5.231516    6.394781   -0.000096   -0.000046    0.000044
Br   -1.333323   -5.018310    2.826368    0.000398   -0.000662   -0.000062
Rb    2.300224   -5.065268    2.966906   -0.001920   -0.001088    0.003284
Br    5.795156   -5.422719    3.042812   -0.000758   -0.000312   -0.000242
Rb   -1.094701   -4.492275   -0.618184   -0.000382    0.000354   -0.000008
Br    2.282123   -5.221802   -0.672505    0.001370   -0.002146    0.002294
Rb    5.738448   -4.977443   -0.414032    0.001248    0.000428   -0.000398
Br   -1.197138   -4.498532   -4.008132   -0.000080   -0.000070    0.000056
Rb    2.225457   -4.641085   -4.105124   -0.000118    0.000114   -0.000186
Br    5.636085   -4.658772   -3.825902   -0.000218   -0.000244    0.000022
O     0.452220    0.335795    1.433224   -0.000568    0.000166    0.000006
H     0.938578    0.974438    0.887901    0.010756   -0.011450   -0.003894
H    -0.206437   -0.057566    0.832730   -0.008448    0.008070    0.003964
O     3.357982    0.118846    1.604918   -0.000822   -0.004116    0.000514
H     3.993714    0.526961    2.221045    0.094206   -0.065742   -0.064176
H     2.871896   -0.529270    2.139187   -0.017256    0.050298    0.050632
O     0.216910    3.445844    1.842711   -0.002062   -0.000632   -0.000054
H     0.606950    4.125759    2.426607    0.060290   -0.124610    0.091848
H    -0.459072    2.981878    2.374297   -0.091896    0.038334   -0.086304
O     3.589031   -2.988701    1.191089    0.019218    0.003774    0.002346
H     4.113653   -2.462270    0.510495    0.819314   -0.326040    0.789614
H     3.314259   -3.893387    0.772312   -0.574358    1.173686   -0.861224
O     3.184981    3.384415    1.661800    0.000378    0.000182    0.000184
H     3.741638    4.004626    1.157445    0.023906   -0.026542   -0.006230
H     2.645193    2.927006    0.993405   -0.008444    0.005722    0.003430
O     0.623888   -2.929637    1.377289   -0.006566   -0.006666   -0.001612
H     1.148624   -2.468527    2.055225    0.074836   -0.026162   -0.053340
H     0.097631   -3.589793    1.865674   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171647    5.493479   -3.155225   -0.000068   -0.000148   -0.000036
Rb    5.562053   -1.266904   -3.730085   -0.000046   -0.000068    0.000140
Rb    5.409091   -1.937997    3.309516   -0.000528   -0.000670   -0.002760
Rb    4.900821    4.947422    3.658786    0.000138   -0.000148    0.000006
Rb    1.957809   -1.348637   -0.695935   -0.000560   -0.003518    0.000798
Rb    5.219371    1.852930   -0.105114    0.000074   -0.000224    0.000038
Rb    1.979630    2.349456   -4.303468   -0.000044   -0.000104    0.000026
Rb    1.844711    1.801924    3.734166   -0.000266    0.000320    0.000054
Rb    1.514898    5.519406    0.065120    0.000134    0.000094   -0.000400
Rb   -1.599682    2.395290   -0.272388   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687217   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339324   -1.092387   -3.904611   -0.000078    0.000030    0.000054
Rb   -1.410641   -1.402978    3.145744    0.000222   -0.000730   -0.000456
Rb   -1.930624    5.433396    3.450156   -0.000152   -0.000152    0.000028
Br    5.448769    2.177205   -3.644918   -0.000026   -0.000038   -0.000118
Br    5.986577   -1.504864   -0.295638   -0.001568    0.000622   -0.001544
Br    5.547374    1.538598    3.504492   -0.000256    0.000072    0.000142
Br    5.148495    5.467570    0.213721   -0.000050   -0.000024   -0.000024
Br    1.825457    5.787533   -3.475846   -0.000032   -0.000034    0.000010
Br    2.117492   -1.148823   -4.166468   -0.000174   -0.000142   -0.000138
Br    1.988005   -1.689753    3.998558    0.000066   -0.000176    0.000030
Br    1.525474    5.680901    3.705782   -0.000120    0.000172   -0.000244
Br   -1.512666    2.349511   -3.859608   -0.000090   -0.000024   -0.000032
Br   -1.743275   -1.082057   -0.462193   -0.000160    0.000016   -0.000164
Br   -2.169162    1.958245    3.336016    0.000136   -0.000026    0.000188
Br   -1.981534    5.880614   -0.008155    0.000078    0.000024    0.000040
Br    1.821584    2.142803   -0.961468   -0.000154    0.000034   -0.000018
Br   -1.826540    5.106686    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583555    5.095118    7.137985    0.000026   -0.000084    0.000006
Br    5.006504    4.955342    7.048820    0.000018   -0.000128   -0.000026
Rb   -1.751104    1.714679    6.770651   -0.000038   -0.000032   -0.000048
Br    1.693667    1.602406    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549043    6.947425   -0.000004   -0.000112   -0.000028
Br   -1.634512   -1.730183    6.684619   -0.000046   -0.000058    0.000052
Rb    1.837693   -1.897170    7.340019   -0.000094   -0.000048   -0.000016
Br    5.328838   -1.893523    6.898020   -0.000134   -0.000202    0.000062
Rb   -1.349055   -5.047314    6.195228   -0.000156    0.000022   -0.000010
Br    1.997032   -5.332837    6.508702   -0.000066   -0.000116   -0.000330
Rb    5.381327   -5.231521    6.394785   -0.000096   -0.000046    0.000044
Br   -1.333282   -5.018377    2.826362    0.000398   -0.000662   -0.000062
Rb    2.300029   -5.065378    2.967239   -0.001920   -0.001088    0.003284
Br    5.795079   -5.422751    3.042788   -0.000758   -0.000312   -0.000242
Rb   -1.094740   -4.492239   -0.618185   -0.000382    0.000354   -0.000008
Br    2.282262   -5.222019   -0.672273    0.001370   -0.002146    0.002294
Rb    5.738574   -4.977400   -0.414073    0.001248    0.000428   -0.000398
Br   -1.197146   -4.498539   -4.008126   -0.000080   -0.000070    0.000056
Rb    2.225445   -4.641073   -4.105143   -0.000118    0.000114   -0.000186
Br    5.636063   -4.658796   -3.825900   -0.000218   -0.000244    0.000022
O     0.452163    0.335812    1.433224   -0.000568    0.000166    0.000006
H     0.939668    0.973278    0.887507    0.010756   -0.011450   -0.003894
H    -0.207293   -0.056748    0.833132   -0.008448    0.008070    0.003964
O     3.357898    0.118429    1.604970   -0.000822   -0.004116    0.000514
H     4.003260    0.520299    2.214542    0.094206   -0.065742   -0.064176
H     2.870147   -0.524173    2.144318   -0.017256    0.050298    0.050632
O     0.216701    3.445780    1.842705   -0.002062   -0.000632   -0.000054
H     0.613059    4.113132    2.435914    0.060290   -0.124610    0.091848
H    -0.468383    2.985763    2.365552   -0.091896    0.038334   -0.086304
O     3.590978   -2.988319    1.191326    0.019218    0.003774    0.002346
H     4.196674   -2.495307    0.590506    0.819314   -0.326040    0.789614
H     3.256060   -3.774457    0.685045   -0.574358    1.173686   -0.861224
O     3.185019    3.384433    1.661819    0.000378    0.000182    0.000184
H     3.744060    4.001936    1.156814    0.023906   -0.026542   -0.006230
H     2.644338    2.927586    0.993752   -0.008444    0.005722    0.003430
O     0.623222   -2.930312    1.377125   -0.006566   -0.006666   -0.001612
H     1.156207   -2.471178    2.049820    0.074836   -0.026162   -0.053340
H     0.081647   -3.569852    1.874143   -0.157746    0.196784    0.083576
66
* Frequency(178)  787.9500
Rb    5.171639    5.493462   -3.155229   -0.000068   -0.000148   -0.000036
Rb    5.562048   -1.266912   -3.730069   -0.000046   -0.000068    0.000140
Rb    5.409031   -1.938073    3.309202   -0.000528   -0.000670   -0.002760
Rb    4.900837    4.947405    3.658787    0.000138   -0.000148    0.000006
Rb    1.957745   -1.349037   -0.695844   -0.000560   -0.003518    0.000798
Rb    5.219379    1.852905   -0.105110    0.000074   -0.000224    0.000038
Rb    1.979625    2.349444   -4.303465   -0.000044   -0.000104    0.000026
Rb    1.844681    1.801960    3.734172   -0.000266    0.000320    0.000054
Rb    1.514913    5.519417    0.065075    0.000134    0.000094   -0.000400
Rb   -1.599683    2.395290   -0.272357   -0.000006    0.000000    0.000276
Rb   -1.558912    5.687212   -3.359765    0.000002   -0.000040   -0.000002
Rb   -1.339333   -1.092384   -3.904605   -0.000078    0.000030    0.000054
Rb   -1.410616   -1.403061    3.145692    0.000222   -0.000730   -0.000456
Rb   -1.930641    5.433379    3.450159   -0.000152   -0.000152    0.000028
Br    5.448766    2.177201   -3.644931   -0.000026   -0.000038   -0.000118
Br    5.986399   -1.504793   -0.295813   -0.001568    0.000622   -0.001544
Br    5.547345    1.538606    3.504508   -0.000256    0.000072    0.000142
Br    5.148489    5.467567    0.213718   -0.000050   -0.000024   -0.000024
Br    1.825453    5.787529   -3.475845   -0.000032   -0.000034    0.000010
Br    2.117472   -1.148839   -4.166484   -0.000174   -0.000142   -0.000138
Br    1.988013   -1.689773    3.998561    0.000066   -0.000176    0.000030
Br    1.525460    5.680921    3.705754   -0.000120    0.000172   -0.000244
Br   -1.512676    2.349508   -3.859612   -0.000090   -0.000024   -0.000032
Br   -1.743293   -1.082055   -0.462212   -0.000160    0.000016   -0.000164
Br   -2.169147    1.958242    3.336037    0.000136   -0.000026    0.000188
Br   -1.981525    5.880617   -0.008150    0.000078    0.000024    0.000040
Br    1.821566    2.142807   -0.961470   -0.000154    0.000034   -0.000018
Br   -1.826535    5.106684    6.861710    0.000040   -0.000016   -0.000004
Rb    1.583558    5.095108    7.137986    0.000026   -0.000084    0.000006
Br    5.006506    4.955327    7.048817    0.000018   -0.000128   -0.000026
Rb   -1.751108    1.714675    6.770646   -0.000038   -0.000032   -0.000048
Br    1.693664    1.602400    7.205026   -0.000028   -0.000056   -0.000002
Rb    5.151228    1.549030    6.947422   -0.000004   -0.000112   -0.000028
Br   -1.634517   -1.730190    6.684625   -0.000046   -0.000058    0.000052
Rb    1.837682   -1.897175    7.340017   -0.000094   -0.000048   -0.000016
Br    5.328823   -1.893546    6.898027   -0.000134   -0.000202    0.000062
Rb   -1.349073   -5.047311    6.195227   -0.000156    0.000022   -0.000010
Br    1.997024   -5.332850    6.508664   -0.000066   -0.000116   -0.000330
Rb    5.381316   -5.231526    6.394790   -0.000096   -0.000046    0.000044
Br   -1.333237   -5.018452    2.826355    0.000398   -0.000662   -0.000062
Rb    2.299811   -5.065502    2.967612   -0.001920   -0.001088    0.003284
Br    5.794993   -5.422786    3.042760   -0.000758   -0.000312   -0.000242
Rb   -1.094783   -4.492199   -0.618186   -0.000382    0.000354   -0.000008
Br    2.282418   -5.222263   -0.672012    0.001370   -0.002146    0.002294
Rb    5.738716   -4.977351   -0.414118    0.001248    0.000428   -0.000398
Br   -1.197155   -4.498547   -4.008120   -0.000080   -0.000070    0.000056
Rb    2.225432   -4.641060   -4.105164   -0.000118    0.000114   -0.000186
Br    5.636038   -4.658824   -3.825897   -0.000218   -0.000244    0.000022
O     0.452098    0.335831    1.433225   -0.000568    0.000166    0.000006
H     0.940890    0.971977    0.887064    0.010756   -0.011450   -0.003894
H    -0.208253   -0.055831    0.833582   -0.008448    0.008070    0.003964
O     3.357805    0.117961    1.605028   -0.000822   -0.004116    0.000514
H     4.013966    0.512828    2.207249    0.094206   -0.065742   -0.064176
H     2.868186   -0.518457    2.150072   -0.017256    0.050298    0.050632
O     0.216467    3.445708    1.842699   -0.002062   -0.000632   -0.000054
H     0.619911    4.098971    2.446352    0.060290   -0.124610    0.091848
H    -0.478827    2.990119    2.355744   -0.091896    0.038334   -0.086304
O     3.593162   -2.987890    1.191593    0.019218    0.003774    0.002346
H     4.289785   -2.532360    0.680242    0.819314   -0.326040    0.789614
H     3.190787   -3.641074    0.587171   -0.574358    1.173686   -0.861224
O     3.185062    3.384454    1.661840    0.000378    0.000182    0.000184
H     3.746777    3.998920    1.156106    0.023906   -0.026542   -0.006230
H     2.643378    2.928236    0.994142   -0.008444    0.005722    0.003430
O     0.622476   -2.931070    1.376942   -0.006566   -0.006666   -0.001612
H     1.164712   -2.474151    2.043758    0.074836   -0.026162   -0.053340
H     0.063720   -3.547489    1.883641   -0.157746    0.196784    0.083576
