Computational Chemistry
All energies and geometries :

6_1
ENERGY= -1331.251593
6 0.057356 0.507902 0.000146
6 2.195340 1.093145 0.000122
6 2.358727 -0.257081 0.000302
16 0.804909 -1.083860 0.000293
7 0.883777 1.523222 0.000054
7 -1.308431 0.703218 0.000226
1 -1.585946 1.677375 -0.000289
6 -2.254512 -0.320123 -0.000202
8 -1.874968 -1.503748 -0.000079
17 3.849122 -1.142105 0.000421
7 -3.554379 0.072007 -0.000596
6 -3.965929 1.477471 -0.000221
1 -5.055886 1.511708 -0.000476
1 -3.616205 2.003026 0.896631
1 -3.615807 2.003610 -0.896575
6 -4.609473 -0.940340 -0.000644
1 -5.236884 -0.830582 0.891274
1 -5.237697 -0.829497 -0.891840
1 -4.156033 -1.930074 -0.001452
1 2.996649 1.822464 0.000048

6_2
ENERGY= -1370.547646
6 0.061420 0.502168 0.014912
6 2.210735 1.108990 0.011579
6 2.360885 -0.247024 0.013191
16 0.811206 -1.084531 0.016105
7 0.884025 1.517652 0.012641
7 -1.305115 0.696837 0.016504
1 -1.582935 1.670873 0.014128
6 -2.251977 -0.325465 0.017581
8 -1.874988 -1.509853 0.018917
6 3.290179 2.147597 0.008796
1 3.204279 2.792667 0.891558
1 4.283314 1.692201 0.009056
1 3.203168 2.789132 -0.876443
17 3.840919 -1.157666 0.012584
7 -3.551902 0.068513 0.017234
6 -3.961402 1.474588 0.016013
1 -5.051368 1.511792 0.016366
1 -3.609879 2.000507 0.911856
1 -3.610588 1.998680 -0.881175
6 -4.607253 -0.943353 0.019262
1 -5.234161 -0.832782 0.911425
1 -5.235911 -0.834376 -0.871844
1 -4.153500 -1.932921 0.019697

6_3
ENERGY= -1409.835908
6 0.026437 0.522005 -0.014924
6 2.172418 1.142872 -0.006753
6 2.329993 -0.211175 -0.070486
16 0.786305 -1.058460 -0.091729
7 0.842670 1.541408 0.022520
7 -1.341780 0.706874 0.007905
1 -1.625790 1.677948 0.056407
6 -2.280918 -0.321867 -0.018743
8 -1.895028 -1.502648 -0.061379
6 3.250909 2.188946 0.019833
1 3.048446 2.871477 0.855533
1 4.213841 1.710236 0.224549
17 3.815649 -1.111870 -0.122114
7 -3.584096 0.061329 0.001272
6 -4.005375 1.462204 0.063327
1 -5.094622 1.491829 0.018491
1 -3.694730 1.940575 1.000572
1 -3.623591 2.037015 -0.788510
6 -4.631205 -0.958944 0.018828
1 -5.218838 -0.882626 0.941229
1 -5.299485 -0.825558 -0.839218
1 -4.171661 -1.944473 -0.033304
6 3.341138 2.997580 -1.287408
1 2.393496 3.502475 -1.504657
1 4.123734 3.760845 -1.208042
1 3.583586 2.347533 -2.136168

6_4
ENERGY= -1449.119642
6 -0.006684 0.535562 -0.264541
6 2.137294 1.164328 -0.427254
6 2.254328 -0.151214 -0.779155
16 0.704363 -0.986948 -0.756890
7 0.829357 1.532548 -0.137308
7 -1.354890 0.705503 -0.018959
1 -1.607047 1.644647 0.264562
6 -2.311639 -0.300993 -0.126662
8 -1.960877 -1.446665 -0.457888
6 3.213187 2.228102 -0.318304
1 2.679508 3.134139 -0.007596
17 3.682528 -1.041571 -1.220286
7 -3.592270 0.063841 0.143124
6 -3.968231 1.418270 0.553065
1 -5.053764 1.454219 0.651811
1 -3.532852 1.687137 1.523638
1 -3.680780 2.161922 -0.199188
6 -4.647763 -0.947365 0.110120
1 -5.076550 -1.082376 1.110359
1 -5.441931 -0.635036 -0.576663
1 -4.227726 -1.892054 -0.230922
6 3.885211 2.528906 -1.672595
1 3.141164 2.790089 -2.434077
1 4.574191 3.375503 -1.567208
1 4.460102 1.670940 -2.037711
6 4.252619 1.906397 0.773597
1 3.768210 1.727895 1.740638
1 4.844051 1.020015 0.519733
1 4.943607 2.749781 0.890973

6_5
ENERGY= -1447.901804
6 -0.256242 0.156581 0.014478
6 1.966113 0.367440 0.008899
6 1.869313 -0.995700 0.005797
16 0.194181 -1.539347 0.009907
7 0.734945 1.007033 0.013759
7 -1.565004 0.596010 0.019383
1 -1.660725 1.604233 0.028611
6 -2.681923 -0.236807 0.020735
8 -2.527042 -1.469923 0.024988
17 3.163052 -2.156327 -0.001154
7 -3.888419 0.387606 0.013141
6 -4.034298 1.844592 0.029395
1 -5.097585 2.080637 -0.026711
1 -3.641319 2.283912 0.954769
1 -3.546745 2.309085 -0.835686
6 -5.110746 -0.413277 0.061972
1 -5.661633 -0.209390 0.987862
1 -5.751350 -0.169422 -0.792612
1 -4.848533 -1.469290 0.025388
6 3.214221 1.160978 0.007049
6 3.286833 2.481486 -0.742696
6 3.290632 2.479243 0.760326
1 4.118424 0.560341 0.003900
1 2.382549 2.814153 -1.244598
1 4.212605 2.703603 -1.266987
1 4.219118 2.699710 1.280504
1 2.389029 2.810557 1.267908

6_6
ENERGY= -1668.309605
6 -0.537942 -0.182746 -0.012530
6 1.668516 -0.351567 0.002213
6 1.582975 1.011722 -0.006992
16 -0.101349 1.518603 -0.021208
7 0.463642 -1.021772 -0.001040
7 -1.839069 -0.626421 -0.017120
1 -1.939038 -1.634665 -0.015324
6 -2.951091 0.218742 -0.032239
8 -2.774466 1.448848 -0.046126
6 2.893070 -1.217337 0.011700
17 2.818597 2.217167 -0.008321
7 -4.161107 -0.390334 -0.028210
6 -4.323124 -1.846583 -0.020642
1 -5.389999 -2.068927 0.016078
1 -3.916136 -2.305331 -0.929876
1 -3.859345 -2.299697 0.863183
6 -5.375046 0.424844 -0.073291
1 -5.942254 0.205209 -0.985011
1 -6.003039 0.207383 0.797516
1 -5.100033 1.478141 -0.065377
9 2.912375 -2.041818 1.093617
9 2.939781 -2.026572 -1.081289
9 4.044177 -0.513418 0.030870

6_7
ENERGY= -1488.403480
6 0.543334 0.133610 -0.016106
6 -1.697592 0.320041 -0.010304
6 -1.572465 -1.043647 -0.007396
16 0.114847 -1.561735 -0.011554
7 -0.461183 0.963279 -0.015219
7 1.845659 0.594899 -0.021081
1 1.925477 1.604459 -0.029859
6 2.974491 -0.220785 -0.022012
8 2.838633 -1.456386 -0.025087
6 -2.919593 1.241186 -0.008312
17 -2.763787 -2.317069 -0.000537
7 4.171899 0.421266 -0.015794
6 4.296089 1.880221 -0.031099
1 5.356045 2.132058 0.019498
1 3.891866 2.314552 -0.953974
1 3.805908 2.336865 0.836778
6 5.406062 -0.361415 -0.058829
1 5.959965 -0.146364 -0.980338
1 6.037730 -0.111454 0.800755
1 5.159007 -1.421254 -0.027573
6 -4.268474 0.499543 -0.004591
1 -4.395894 -0.129588 -0.891224
1 -4.392357 -0.127278 0.884151
1 -5.075730 1.241583 -0.003921
6 -2.855774 2.134688 -1.271272
1 -3.699002 2.836188 -1.271453
1 -1.927030 2.712198 -1.303320
1 -2.916901 1.529643 -2.184103
6 -2.849759 2.136749 1.252890
1 -1.920804 2.714219 1.279552
1 -3.692910 2.838344 1.255993
1 -2.906558 1.533165 2.166967

6_8
ENERGY= -1128.044673
6 -0.553084 0.170279 0.003632
6 1.682557 0.386783 0.002718
6 1.558972 -0.966873 0.003679
16 -0.108657 -1.529120 0.004643
7 0.436343 1.016289 0.002743
7 -1.865844 0.607807 0.003840
1 -1.960808 1.616132 0.003174
6 -2.982198 -0.222915 0.004689
8 -2.831302 -1.457221 0.005504
6 2.929396 1.263273 0.001819
7 -4.188876 0.402622 0.004572
6 -4.333562 1.859528 0.003592
1 -5.398311 2.095506 0.003725
1 -3.891654 2.312413 0.899491
1 -3.892158 2.311149 -0.893193
6 -5.412383 -0.397343 0.005521
1 -6.009368 -0.172981 0.897008
1 -6.009795 -0.174467 -0.886053
1 -5.149039 -1.453705 0.006337
6 4.227265 0.432603 0.001349
1 4.304228 -0.204372 0.889160
1 4.303158 -0.205019 -0.886095
1 5.087732 1.111899 0.000588
6 2.906659 2.158365 1.263325
1 3.779162 2.823306 1.265563
1 2.003540 2.776374 1.293289
1 2.938293 1.551749 2.176537
6 2.905345 2.157685 -1.260140
1 2.002285 2.775807 -1.289425
1 3.777946 2.822490 -1.263723
1 2.935860 1.550566 -2.173058
9 2.528064 -1.910397 0.004013

6_9
ENERGY= -923.502856
6 0.059914 0.499293 0.000201
6 2.212379 1.104804 -0.000066
6 2.355998 -0.250495 0.000188
16 0.810874 -1.085722 0.000446
7 0.884632 1.514024 -0.000028
7 -1.306305 0.696966 0.000398
1 -1.582760 1.671305 -0.000292
6 -2.254283 -0.324545 -0.000055
8 -1.878392 -1.509508 0.000020
6 3.286247 2.149407 -0.000428
1 3.194430 2.792662 0.883098
1 4.282190 1.701087 0.000280
1 3.195138 2.791360 -0.884984
7 -3.553908 0.071312 -0.000558
6 -3.961073 1.478057 -0.000210
1 -5.051013 1.516131 -0.000558
1 -3.609569 2.002749 0.896577
1 -3.609020 2.003342 -0.896434
6 -4.611934 -0.937910 -0.000675
1 -5.239431 -0.826613 0.891147
1 -5.240068 -0.825596 -0.891903
1 -4.161269 -1.929009 -0.001400
35 3.995847 -1.275673 0.000178

6_10
ENERGY= -1275.919857
6 0.092823 0.481928 0.000008
6 2.232755 1.107810 -0.000088
6 2.393866 -0.248834 0.000044
16 0.853198 -1.097067 0.000246
7 0.903935 1.504612 -0.000108
7 -1.281354 0.655343 0.000014
1 -1.588529 1.623175 -0.000191
6 -2.219118 -0.352520 -0.000042
8 -1.871282 -1.534749 0.000053
6 3.304918 2.153743 -0.000291
1 3.213312 2.796455 0.883448
1 4.300960 1.705034 0.000332
1 3.213993 2.795444 -0.884842
17 3.880400 -1.144805 0.000067
6 -3.657940 0.104867 -0.000294
1 -3.870443 0.715212 0.884822
1 -3.870412 0.714121 -0.886174
1 -4.309593 -0.769750 0.000215

7_1
ENERGY= -1331.237675
6 0.002859 0.481430 -0.150617
6 2.162304 1.078963 -0.238480
6 2.383820 -0.386919 -0.501293
16 0.718922 -1.131226 -0.510366
7 0.970696 1.509618 -0.063009
7 -1.231893 0.775255 0.007245
6 -2.195646 -0.254725 -0.075817
8 -1.897781 -1.432283 -0.353988
1 2.901427 -0.565547 -1.445086
7 -3.465438 0.154276 0.165693
6 -3.852543 1.518534 0.520632
1 -4.589265 1.888843 -0.202037
1 -4.310205 1.524466 1.517430
1 -2.982233 2.169314 0.517994
6 -4.558771 -0.810904 0.116795
1 -5.024900 -0.899612 1.105853
1 -5.319026 -0.470932 -0.596091
1 -4.176727 -1.781810 -0.192888
17 3.495176 -1.056827 0.789857
1 3.011140 1.756890 -0.188984

7_2
ENERGY= -1370.539362
6 -0.008841 0.486958 0.169811
6 -2.178709 1.104000 0.243939
6 -2.386986 -0.385808 0.469714
16 -0.724294 -1.128103 0.511636
7 -0.967684 1.512380 0.096557
7 1.230368 0.775672 0.016620
6 2.188290 -0.256638 0.096785
8 1.890405 -1.432653 0.384392
6 -3.341608 2.038037 0.224476
1 -4.031974 1.775314 -0.585101
1 -3.904019 1.955822 1.162859
1 -3.000126 3.066113 0.092200
1 -2.927311 -0.583214 1.396651
7 3.459620 0.144813 -0.155767
6 3.849804 1.505342 -0.519841
1 4.594211 1.876104 0.194824
1 4.299211 1.505879 -1.520560
1 2.982047 2.159515 -0.512769
6 4.549173 -0.824496 -0.110915
1 5.010426 -0.916570 -1.102101
1 5.314756 -0.487295 0.597775
1 4.164833 -1.793611 0.201670
17 -3.448389 -1.084197 -0.850908

7_3
ENERGY= -1409.827524
6 -0.020521 0.491526 -0.171370
6 2.146982 1.119740 -0.240994
6 2.362674 -0.372386 -0.458719
16 0.703286 -1.120826 -0.510472
7 0.933192 1.520057 -0.098946
7 -1.261474 0.774293 -0.019677
6 -2.214733 -0.262075 -0.099505
8 -1.912706 -1.436910 -0.387766
6 3.318209 2.054055 -0.232169
1 4.014635 1.712980 0.545672
1 3.858374 1.905780 -1.179328
1 2.911031 -0.574131 -1.379785
7 -3.488128 0.134214 0.152023
6 -3.881738 1.489504 0.532405
1 -4.642101 1.858445 -0.166052
1 -4.312397 1.481304 1.541454
1 -3.019222 2.150274 0.512524
6 -4.572087 -0.841568 0.113042
1 -4.997547 -0.973818 1.115902
1 -5.364064 -0.484335 -0.555200
1 -4.193385 -1.795974 -0.247922
17 3.412826 -1.068048 0.874026
6 2.970427 3.530115 -0.035302
1 3.888049 4.127173 -0.051443
1 2.309902 3.893103 -0.829074
1 2.470093 3.695679 0.924128

7_4
ENERGY= -1449.114752
6 0.028184 0.456345 -0.166885
6 2.199669 1.071790 -0.220977
6 2.416930 -0.434750 -0.161342
16 0.762155 -1.187480 -0.219067
7 0.982040 1.485457 -0.205016
7 -1.217492 0.754036 -0.122400
6 -2.170775 -0.285220 -0.096627
8 -1.864936 -1.485523 -0.237815
6 3.373033 2.008224 -0.348973
1 4.213691 1.553928 0.188591
1 3.044777 -0.801664 -0.973582
7 -3.448219 0.138073 0.078260
6 -3.845643 1.528366 0.290686
1 -4.593973 1.812487 -0.458526
1 -4.292651 1.638209 1.286663
1 -2.981641 2.182364 0.208075
6 -4.533820 -0.835203 0.130557
1 -4.991667 -0.836117 1.127779
1 -5.302829 -0.568305 -0.603606
1 -4.146554 -1.827908 -0.091160
17 3.337884 -0.859119 1.370610
6 3.094496 3.395664 0.245165
1 3.998634 4.009835 0.174028
1 2.289673 3.903961 -0.295159
1 2.808298 3.327107 1.300212
6 3.773149 2.105104 -1.843726
1 4.666006 2.732711 -1.935371
1 4.005825 1.126040 -2.276073
1 2.967347 2.560772 -2.429820

7_5
ENERGY= -1447.896495
6 0.066050 0.438324 -0.271017
6 2.242214 1.008863 -0.420900
6 2.445879 -0.484096 -0.211904
16 0.782200 -1.215778 -0.146978
7 1.022892 1.438943 -0.435403
7 -1.180165 0.745004 -0.241102
6 -2.136137 -0.276728 -0.085881
8 -1.841324 -1.488780 -0.095795
1 3.042501 -0.932060 -1.007381
7 -3.410767 0.170004 0.056291
6 -3.796552 1.576811 0.140501
1 -4.556145 1.793914 -0.619732
1 -4.225477 1.785959 1.128675
1 -2.929924 2.212995 -0.019092
6 -4.498086 -0.786698 0.230666
1 -4.903565 -0.720938 1.248620
1 -5.302334 -0.558895 -0.478071
1 -4.130173 -1.795721 0.053627
17 3.418948 -0.764167 1.319795
6 3.400727 1.880721 -0.606882
6 3.281407 3.085472 -1.551386
6 3.355616 3.322521 -0.086830
1 4.363841 1.383715 -0.573707
1 2.321812 3.208508 -2.044258
1 4.154694 3.289704 -2.163910
1 4.280739 3.697617 0.340934
1 2.446901 3.610050 0.433485

7_6
ENERGY= -1668.286964
6 0.000681 0.477730 -0.183645
6 2.160733 1.062742 -0.266579
6 2.378928 -0.400528 -0.572253
16 0.695974 -1.114851 -0.623736
7 0.978333 1.496737 -0.074772
7 -1.224399 0.782797 0.010025
6 -2.195690 -0.241002 -0.105088
8 -1.900277 -1.398184 -0.460064
6 3.327196 2.043462 -0.188614
1 2.894930 -0.549900 -1.521537
7 -3.454158 0.153007 0.197545
6 -3.835343 1.507161 0.597742
1 -4.587782 1.894091 -0.099367
1 -4.271380 1.483534 1.603397
1 -2.966814 2.160255 0.593782
6 -4.550554 -0.808324 0.124117
1 -5.076180 -0.837921 1.085201
1 -5.262296 -0.505109 -0.653324
1 -4.157655 -1.796286 -0.108441
17 3.450512 -1.173713 0.688300
9 2.953824 3.287155 -0.531044
9 3.832798 2.094985 1.063915
9 4.323274 1.663634 -1.018211

7_7
ENERGY= -1488.396141
6 -0.014287 0.515090 -0.311443
6 2.174984 1.086180 -0.396991
6 2.304437 -0.341755 -0.923958
16 0.607369 -0.979366 -1.091472
7 0.986327 1.471093 -0.088043
7 -1.225504 0.783671 0.011989
6 -2.229197 -0.173951 -0.242260
8 -2.021666 -1.208452 -0.906484
6 3.362732 2.035366 -0.253472
1 2.830043 -0.386031 -1.877167
7 -3.442011 0.140265 0.279310
6 -3.716584 1.314792 1.104475
1 -4.545814 1.882501 0.666298
1 -4.007255 0.999340 2.114397
1 -2.834200 1.946549 1.163308
6 -4.569049 -0.766794 0.090637
1 -4.880089 -1.188569 1.054755
1 -5.415644 -0.216860 -0.336406
1 -4.281380 -1.573167 -0.581438
17 3.309783 -1.379230 0.214135
6 2.905011 3.471067 -0.599421
1 3.758151 4.151334 -0.500434
1 2.535598 3.532347 -1.629457
1 2.110719 3.810321 0.070367
6 4.525293 1.640471 -1.188770
1 5.338111 2.364860 -1.070012
1 4.930773 0.650827 -0.957469
1 4.219485 1.657367 -2.241455
6 3.843372 2.006396 1.222922
1 3.031853 2.287098 1.902521
1 4.215000 1.019159 1.510928
1 4.659256 2.728474 1.342939

7_8
ENERGY= -1128.040506
6 0.609643 0.165632 0.117629
6 -1.639849 0.390746 0.204042
6 -1.570367 -1.122391 0.419327
16 0.195129 -1.561992 0.408103
7 -0.518561 1.004288 0.067911
7 1.773836 0.681411 -0.015791
6 2.911787 -0.154470 0.019563
8 2.845110 -1.382677 0.216528
6 -2.971419 1.123140 0.122400
1 -2.040247 -1.436529 1.353008
7 4.083812 0.502568 -0.172286
6 4.207783 1.934357 -0.438653
1 4.849528 2.394288 0.322313
1 4.670035 2.088314 -1.421560
1 3.228843 2.405772 -0.421408
6 5.339746 -0.240066 -0.167087
1 5.802826 -0.204292 -1.161268
1 6.030916 0.211765 0.553752
1 5.151915 -1.276335 0.107709
6 -2.795418 2.590860 0.562337
1 -3.760135 3.105400 0.489901
1 -2.449551 2.654854 1.600250
1 -2.075297 3.116245 -0.070659
6 -4.033637 0.441751 1.013426
1 -4.967679 1.010435 0.953323
1 -4.249296 -0.582139 0.690931
1 -3.724029 0.419807 2.065050
6 -3.439172 1.090004 -1.359871
1 -2.706840 1.579480 -2.010863
1 -3.595845 0.067733 -1.715845
1 -4.388785 1.631439 -1.441571
9 -2.264105 -1.780619 -0.614339

7_9
ENERGY= -923.497657
6 0.323752 0.177281 0.191080
6 -1.925475 0.341019 0.248904
6 -1.818504 -1.154116 0.452473
16 -0.060881 -1.544103 0.559925
7 -0.819472 0.987774 0.109394
7 1.482481 0.701064 0.031139
6 2.625494 -0.119823 0.134892
8 2.568221 -1.312152 0.494836
1 -2.384729 -1.518400 1.308075
7 3.788908 0.506640 -0.174470
6 3.896389 1.889971 -0.634134
1 4.588183 2.437739 0.016654
1 4.292123 1.911430 -1.657252
1 2.921360 2.369683 -0.613393
6 5.046949 -0.230132 -0.114281
1 5.489805 -0.300636 -1.115632
1 5.751559 0.296073 0.540371
1 4.866778 -1.231005 0.273671
6 -3.250062 1.029788 0.243356
1 -3.788317 0.813105 1.174451
35 -2.755176 -2.115569 -1.123220
1 -3.113770 2.108121 0.143707
1 -3.874126 0.663816 -0.579406

7_10
ENERGY= -1275.902980
6 0.300555 0.146405 0.190515
6 -1.944934 0.336241 0.244494
6 -1.865295 -1.172288 0.423711
16 -0.087308 -1.578725 0.463669
7 -0.831284 0.972974 0.132971
7 1.472305 0.671082 0.063942
6 2.604155 -0.158300 0.122470
8 2.545380 -1.363873 0.368684
1 -2.353062 -1.492416 1.345841
6 -3.263691 1.030464 0.232769
1 -3.800970 0.826090 1.167362
1 -3.124949 2.106742 0.118569
1 -3.889575 0.652189 -0.583434
17 -2.759385 -2.025553 -0.918665
6 3.899711 0.561577 -0.135644
1 3.867702 1.040429 -1.121422
1 4.031297 1.361400 0.602650
1 4.741013 -0.131612 -0.085926

8_1
ENERGY= -1330.795248
6 -0.171249 0.774155 0.044922
6 -2.314967 1.470053 0.015246
6 -2.574887 0.137238 -0.048074
16 -1.089498 -0.805459 -0.047786
7 -0.986761 1.825725 0.067151
7 1.159298 0.874467 0.084856
6 1.923594 -0.249314 0.062344
8 1.477969 -1.428839 -0.013463
17 -4.149892 -0.617715 -0.122801
7 3.293557 -0.039417 0.161086
6 3.882016 1.283695 0.001455
1 4.828922 1.322319 0.551552
1 4.090627 1.514379 -1.056295
1 3.206838 2.041089 0.395807
6 4.194112 -1.154756 -0.091164
1 4.459376 -1.234707 -1.158657
1 5.118091 -1.009277 0.478987
1 3.723442 -2.086755 0.220013
1 -3.071411 2.248412 0.027581

8_2
ENERGY= -1370.090868
6 -0.507954 0.408165 -0.055445
6 1.749308 0.650073 -0.032324
6 1.705137 -0.710282 -0.111750
16 0.054578 -1.322711 -0.154639
7 0.509110 1.261522 -0.002103
7 -1.788096 0.791562 -0.035045
6 -2.775320 -0.139600 -0.097705
8 -2.595592 -1.388245 -0.164219
6 2.975918 1.513402 0.022376
1 2.992358 2.215022 -0.821368
17 3.064162 -1.815696 -0.170182
7 -4.070580 0.366521 -0.117264
6 -4.357413 1.755009 0.218605
1 -5.286803 2.057858 -0.276753
1 -4.486843 1.895556 1.304579
1 -3.545317 2.395955 -0.119910
6 -5.183439 -0.555286 0.057841
1 -5.424572 -0.711574 1.122754
1 -6.071601 -0.145740 -0.435350
1 -4.938517 -1.519295 -0.386823
1 2.986211 2.112522 0.941817
1 3.891671 0.917330 -0.009070

8_3
ENERGY= -1409.377883
6 0.216528 0.415900 -0.093997
6 -2.027424 0.711600 -0.279824
6 -2.024877 -0.644438 -0.134391
16 -0.398642 -1.294911 0.044508
7 -0.770873 1.289230 -0.254008
7 1.505974 0.766193 -0.045849
6 2.459635 -0.188390 0.110878
8 2.238643 -1.428730 0.205706
6 -3.230225 1.601673 -0.445567
1 -3.049070 2.274950 -1.294283
1 -4.103366 0.992551 -0.702767
17 -3.415043 -1.712663 -0.121459
7 3.765567 0.281718 0.198570
6 4.116801 1.650223 -0.156150
1 5.005353 1.950840 0.410719
1 4.346884 1.747928 -1.230092
1 3.293406 2.320006 0.084827
6 4.860989 -0.674185 0.132382
1 5.181101 -0.860572 -0.906563
1 5.719341 -0.278828 0.686575
1 4.553218 -1.620836 0.575267
6 -3.542347 2.442664 0.805990
1 -2.691072 3.077976 1.074727
1 -4.408572 3.091130 0.627479
1 -3.770487 1.799951 1.664817

8_4
ENERGY= -1448.662287
6 0.492813 0.390792 0.061725
6 -1.771541 0.629823 0.016641
6 -1.714644 -0.733317 -0.043423
16 -0.060633 -1.337021 -0.026635
7 -0.529739 1.240094 0.074569
7 1.770460 0.783365 0.104864
6 2.761671 -0.145278 0.094817
8 2.587135 -1.395743 0.042318
6 -2.994099 1.531584 0.029808
1 -2.589981 2.549641 0.087563
17 -3.043134 -1.876595 -0.127533
7 4.054431 0.361153 0.182570
6 4.342779 1.772927 -0.032998
1 5.241213 2.047054 0.531781
1 4.527199 1.993544 -1.097538
1 3.505365 2.378847 0.307581
6 5.175067 -0.539242 -0.045531
1 5.434533 -0.610918 -1.115162
1 6.052547 -0.164800 0.492698
1 4.930017 -1.536367 0.318889
6 -3.877688 1.317323 1.274572
1 -3.293073 1.422830 2.196313
1 -4.683990 2.061157 1.298536
1 -4.337638 0.322992 1.276387
6 -3.817539 1.437820 -1.269788
1 -3.190227 1.627946 -2.148897
1 -4.275297 0.449376 -1.386766
1 -4.622942 2.182971 -1.261501

8_5
ENERGY= -1447.444826
6 0.328318 0.259866 0.031619
6 -1.936983 0.371115 -0.018990
6 -1.812023 -0.988069 -0.061996
16 -0.128883 -1.503510 -0.036183
7 -0.736196 1.052789 0.032871
7 1.583206 0.718839 0.070425
6 2.623657 -0.154455 0.075232
8 2.518087 -1.412778 0.037782
17 -3.104633 -2.170249 -0.130425
7 3.885802 0.423841 0.159625
6 4.093740 1.848891 -0.060345
1 4.983956 2.171081 0.491783
1 4.250641 2.079057 -1.127251
1 3.229786 2.409004 0.292722
6 5.055828 -0.413162 -0.061247
1 5.332513 -0.459321 -1.127953
1 5.905678 0.000651 0.492532
1 4.857686 -1.425502 0.289456
6 -3.214317 1.125498 -0.021510
6 -3.363242 2.401222 0.790796
6 -3.317960 2.475008 -0.711633
1 -4.098258 0.497222 -0.078257
1 -2.488150 2.740956 1.337707
1 -4.313505 2.567634 1.292291
1 -4.236959 2.692912 -1.250252
1 -2.412429 2.864153 -1.168618

8_6
ENERGY= -1667.857544
6 -0.615879 -0.302554 0.049501
6 1.628289 -0.396580 0.023079
6 1.527107 0.961862 -0.069291
16 -0.155077 1.461101 -0.072613
7 0.451068 -1.098090 0.087072
7 -1.865933 -0.753249 0.095133
6 -2.897019 0.137060 0.056161
8 -2.758547 1.389685 -0.022514
6 2.918166 -1.164353 0.025159
17 2.808058 2.133127 -0.195651
7 -4.164376 -0.413348 0.139331
6 -4.402992 -1.842925 -0.010204
1 -5.271757 -2.128239 0.593961
1 -4.611716 -2.110335 -1.058608
1 -3.531717 -2.401268 0.326646
6 -5.322367 0.439281 -0.086213
1 -5.620469 0.449682 -1.147265
1 -6.167138 0.063746 0.501422
1 -5.095791 1.459404 0.221769
9 2.743424 -2.477615 0.288916
9 3.566251 -1.095261 -1.177916
9 3.806026 -0.696167 0.948437

8_7
ENERGY= -1487.945394
6 0.613008 0.238169 0.041279
6 -1.670207 0.331069 0.003023
6 -1.518607 -1.029233 -0.030590
16 0.176399 -1.518737 -0.012064
7 -0.461166 1.012326 0.042847
7 1.863174 0.718209 0.072322
6 2.913065 -0.141965 0.075928
8 2.823745 -1.402282 0.038844
6 -2.920735 1.218985 0.005404
17 -2.702561 -2.328754 -0.086898
7 4.169469 0.451093 0.158899
6 4.358360 1.879106 -0.058253
1 5.252028 2.208939 0.483707
1 4.498761 2.115948 -1.126101
1 3.492926 2.428268 0.308278
6 5.348382 -0.370258 -0.072649
1 5.622294 -0.404532 -1.140656
1 6.195506 0.048479 0.481753
1 5.162804 -1.387634 0.270244
6 -4.252923 0.447836 -0.033493
1 -4.351294 -0.160998 -0.937901
1 -4.376475 -0.206759 0.835190
1 -5.078378 1.170421 -0.026550
6 -2.864922 2.147815 -1.232048
1 -3.728203 2.825535 -1.231248
1 -1.951753 2.750119 -1.232811
1 -2.892569 1.564987 -2.161333
6 -2.903068 2.086229 1.287845
1 -1.989814 2.685498 1.346349
1 -3.765469 2.765063 1.293265
1 -2.960107 1.458790 2.186247

8_8
ENERGY= -1127.586798
6 0.624374 -0.268905 -0.044104
6 -1.654721 -0.393383 -0.012254
6 -1.509485 0.956916 -0.003874
16 0.161264 1.497969 -0.021833
7 -0.432359 -1.061807 -0.036258
7 1.887409 -0.717654 -0.063629
6 2.921797 0.158083 -0.070960
8 2.815710 1.417759 -0.040211
6 -2.925733 -1.239759 0.003667
7 4.188860 -0.417133 -0.149940
6 4.392433 -1.843411 0.065454
1 5.314115 -2.152178 -0.440558
1 4.491217 -2.088377 1.136307
1 3.554087 -2.405872 -0.342400
6 5.352335 0.417696 0.110693
1 5.608955 0.442741 1.183509
1 6.214316 0.018501 -0.435143
1 5.157562 1.436522 -0.222464
6 -4.208192 -0.384911 0.019989
1 -4.261192 0.254172 0.908046
1 -4.282120 0.255684 -0.865586
1 -5.082981 -1.046691 0.029783
6 -2.913215 -2.136451 1.264222
1 -3.800634 -2.782321 1.278207
1 -2.022751 -2.772563 1.285076
1 -2.920951 -1.528730 2.177750
6 -2.946764 -2.137322 -1.255961
1 -2.058588 -2.775318 -1.299115
1 -3.835568 -2.781323 -1.246396
1 -2.976843 -1.530611 -2.169689
9 -2.484706 1.915215 0.020433

8_9
ENERGY= -923.045581
6 -0.019012 0.580286 -0.030485
6 2.192541 1.105603 -0.003041
6 2.312653 -0.250729 -0.002118
16 0.757618 -1.067144 -0.020258
7 0.883278 1.556079 -0.019632
7 -1.337187 0.801762 -0.045880
6 -2.198447 -0.249441 -0.059814
8 -1.860646 -1.466839 -0.040411
6 3.293877 2.125081 0.011448
1 3.228686 2.774914 -0.870555
7 -3.545883 0.086181 -0.129913
6 -4.011138 1.448546 0.093211
1 -4.956642 1.595671 -0.441058
1 -4.187140 1.651820 1.162602
1 -3.274577 2.158739 -0.278616
6 -4.540705 -0.953829 0.087086
1 -4.802324 -1.056026 1.153728
1 -5.453476 -0.702001 -0.464008
1 -4.158791 -1.910035 -0.269258
1 3.210303 2.769825 0.895660
1 4.280676 1.655800 0.020451
35 3.962058 -1.294487 0.019119

8_10
ENERGY= -1275.465228
6 -0.010890 0.586795 -0.048076
6 2.191112 1.108436 0.022919
6 2.313351 -0.244379 -0.112923
16 0.752223 -1.046921 -0.207049
7 0.883859 1.557012 0.057384
7 -1.342562 0.809150 -0.036693
6 -2.192875 -0.228834 -0.148839
8 -1.859057 -1.440781 -0.268676
6 3.300780 2.112520 0.133485
1 3.241406 2.844886 -0.681474
17 3.796647 -1.169886 -0.194344
1 3.225436 2.668893 1.076239
1 4.282850 1.634347 0.094488
6 -3.671359 0.121765 -0.125923
1 -3.835710 1.196844 -0.018521
1 -4.147521 -0.224268 -1.051743
1 -4.162663 -0.402037 0.703434

9_1
ENERGY= -870.801518
6 0.631986 0.322971 0.024436
6 2.843584 0.520790 -0.015279
6 2.740514 -0.941420 -0.009899
16 1.186242 -1.489240 0.024652
7 1.727326 1.173309 0.008826
7 -0.566511 0.718330 0.026588
6 -1.637396 -0.236074 0.021560
8 -1.435810 -1.455890 0.026095
7 -2.851189 0.346332 -0.003659
6 -3.112800 1.786460 0.079244
1 -3.657774 2.100532 -0.816566
1 -3.735687 1.980499 0.958791
1 -2.182012 2.340455 0.158665
6 -4.027833 -0.522349 -0.032594
1 -4.369871 -0.720783 0.990888
1 -4.823171 -0.013870 -0.580951
1 -3.778404 -1.466274 -0.516023
1 3.595847 -1.609885 -0.024378
1 3.798794 1.033981 -0.033058

9_2
ENERGY= -910.106182
6 0.663644 0.315877 0.181719
6 2.881826 0.525599 0.010436
6 2.751552 -0.943943 -0.127798
16 1.207844 -1.497703 -0.047103
7 1.757372 1.154025 0.175878
7 -0.532834 0.691980 0.318215
6 -1.597779 -0.267243 0.293922
8 -1.398149 -1.471974 0.091712
6 4.205575 1.196768 -0.034909
1 4.853204 0.799578 0.757388
1 4.701443 0.979040 -0.989403
1 4.094347 2.274924 0.085990
7 -2.807624 0.286536 0.496547
6 -3.057105 1.689758 0.838743
1 -3.745997 2.117036 0.103679
1 -3.522237 1.736838 1.829468
1 -2.127274 2.251266 0.844414
6 -3.976794 -0.593042 0.486809
1 -4.189797 -0.946190 1.503463
1 -4.835425 -0.026884 0.120319
1 -3.788193 -1.450710 -0.157871
1 3.598806 -1.609010 -0.269470

9_3
ENERGY= -949.393523
6 0.642709 0.295096 0.024407
6 2.872429 0.461226 0.043254
6 2.722383 -1.009022 0.155274
16 1.164613 -1.530595 0.181526
7 1.750232 1.113118 -0.018965
7 -0.552241 0.697018 -0.031661
6 -1.632444 -0.243840 0.008310
8 -1.444384 -1.465994 0.063497
6 4.209673 1.119102 -0.004215
1 4.811530 0.741108 0.832287
1 4.067618 2.193371 0.136920
7 -2.842079 0.345150 -0.033229
6 -3.090043 1.789518 -0.004434
1 -3.664041 2.069576 -0.893286
1 -3.678492 2.030253 0.887355
1 -2.152001 2.336694 0.016962
6 -4.026577 -0.513115 -0.004124
1 -4.357999 -0.660280 1.031342
1 -4.824924 -0.024657 -0.566367
1 -3.792234 -1.480932 -0.446009
1 3.559084 -1.698325 0.227500
6 4.950732 0.839782 -1.332201
1 5.922853 1.340985 -1.304843
1 5.127375 -0.229963 -1.486888
1 4.383200 1.226331 -2.184327

9_4
ENERGY= -988.682499
6 0.636878 0.319496 0.019329
6 2.863983 0.520167 -0.006094
6 2.739014 -0.949873 0.144396
16 1.191592 -1.495276 0.218073
7 1.730666 1.151748 -0.061029
7 -0.564920 0.699689 -0.032941
6 -1.630917 -0.255712 0.048470
8 -1.420284 -1.470727 0.154775
6 4.204662 1.180619 -0.097258
1 4.824865 0.725115 0.688984
7 -2.848528 0.316540 -0.012199
6 -3.111810 1.756840 -0.078074
1 -3.695251 1.970055 -0.979436
1 -3.697647 2.050480 0.799512
1 -2.180474 2.315101 -0.100875
6 -4.033015 -0.538392 0.053904
1 -4.518334 -0.420033 1.030089
1 -4.734564 -0.231218 -0.727057
1 -3.745346 -1.578156 -0.087748
1 3.588105 -1.623658 0.216738
6 4.858530 0.823157 -1.459258
1 5.865886 1.250099 -1.485442
1 4.947127 -0.257696 -1.611270
1 4.277300 1.244529 -2.286211
6 4.137060 2.694563 0.125635
1 3.680594 2.936508 1.090915
1 5.150920 3.106545 0.110640
1 3.554892 3.185110 -0.661446

9_5
ENERGY= -987.463842
6 0.618993 0.418170 -0.144372
6 2.842352 0.616210 -0.297437
6 2.709451 -0.848886 -0.488486
16 1.165915 -1.400039 -0.436846
7 1.706914 1.239267 -0.108624
7 -0.586884 0.775956 -0.018324
6 -1.640668 -0.184414 -0.109254
8 -1.428436 -1.384197 -0.337351
7 -2.863448 0.354298 0.060839
6 -3.135450 1.747309 0.424448
1 -3.782280 2.194951 -0.336778
1 -3.656396 1.769089 1.387950
1 -2.208474 2.308983 0.497122
6 -4.029398 -0.524351 -0.025295
1 -4.335838 -0.842216 0.979012
1 -4.850751 0.028676 -0.487036
1 -3.786021 -1.402409 -0.621640
1 3.543225 -1.525756 -0.646403
6 4.113236 1.307482 -0.315780
6 5.406211 0.619433 0.172400
6 5.240052 0.857113 -1.276105
1 4.033486 2.373360 -0.134759
1 5.330127 -0.393822 0.555009
1 6.058550 1.271542 0.745616
1 5.769528 1.681692 -1.744218
1 5.039026 0.015998 -1.933105

9_6
ENERGY= -1207.845925
6 0.631354 0.321169 0.032851
6 2.834496 0.498807 -0.006572
6 2.726146 -0.959647 0.013618
16 1.163040 -1.483257 0.052627
7 1.730775 1.166020 0.010585
7 -0.563303 0.733487 0.027025
6 -1.631485 -0.222733 0.025280
8 -1.425680 -1.441601 0.038621
6 4.183765 1.202386 -0.035795
7 -2.847459 0.354920 -0.007568
6 -3.116000 1.793673 0.068866
1 -3.663667 2.098432 -0.828355
1 -3.740603 1.986085 0.947584
1 -2.188125 2.352703 0.145613
6 -4.013996 -0.527171 -0.037786
1 -4.306575 -0.790058 0.986684
1 -4.837695 0.000443 -0.520559
1 -3.772737 -1.439677 -0.583026
1 3.566723 -1.646981 0.007472
9 4.873851 0.819857 -1.129861
9 4.903513 0.853509 1.050626
9 4.051760 2.531299 -0.054439

9_7
ENERGY= -1027.969273
6 0.631254 0.322147 0.008115
6 2.861154 0.526438 -0.008895
6 2.731623 -0.952631 0.001536
16 1.183931 -1.501269 0.017585
7 1.725917 1.157173 -0.002290
7 -0.569958 0.708360 0.007301
6 -1.636856 -0.249808 0.008434
8 -1.426827 -1.469556 0.005650
6 4.206196 1.207476 -0.022674
7 -2.853947 0.326724 0.004959
6 -3.115737 1.767812 0.057168
1 -3.691902 2.056540 -0.827796
1 -3.708490 1.987372 0.951508
1 -2.184015 2.325000 0.088340
6 -4.040069 -0.528406 -0.001750
1 -4.538741 -0.471542 0.973071
1 -4.730636 -0.170388 -0.771072
1 -3.751614 -1.557269 -0.206465
1 3.571558 -1.639849 -0.000325
6 4.975486 0.746421 -1.289997
1 5.953699 1.238919 -1.300006
1 5.150832 -0.334735 -1.306473
1 4.439551 1.025943 -2.202889
6 4.037655 2.735539 -0.037978
1 3.497140 3.086592 0.846825
1 5.026928 3.204292 -0.046218
1 3.491104 3.067997 -0.926324
6 4.986747 0.773386 1.247468
1 5.966989 1.261860 1.235618
1 4.461119 1.076869 2.158674
1 5.157588 -0.307833 1.288030

9_8
ENERGY= -1027.969273
6 0.631254 0.322147 0.008115
6 2.861154 0.526438 -0.008895
6 2.731623 -0.952631 0.001536
16 1.183931 -1.501269 0.017585
7 1.725917 1.157173 -0.002290
7 -0.569958 0.708360 0.007301
6 -1.636856 -0.249808 0.008434
8 -1.426827 -1.469556 0.005650
6 4.206196 1.207476 -0.022674
7 -2.853947 0.326724 0.004959
6 -3.115737 1.767812 0.057168
1 -3.691902 2.056540 -0.827796
1 -3.708490 1.987372 0.951508
1 -2.184015 2.325000 0.088340
6 -4.040069 -0.528406 -0.001750
1 -4.538741 -0.471542 0.973071
1 -4.730636 -0.170388 -0.771072
1 -3.751614 -1.557269 -0.206465
1 3.571558 -1.639849 -0.000325
6 4.975486 0.746421 -1.289997
1 5.953699 1.238919 -1.300006
1 5.150832 -0.334735 -1.306473
1 4.439551 1.025943 -2.202889
6 4.037655 2.735539 -0.037978
1 3.497140 3.086592 0.846825
1 5.026928 3.204292 -0.046218
1 3.491104 3.067997 -0.926324
6 4.986747 0.773386 1.247468
1 5.966989 1.261860 1.235618
1 4.461119 1.076869 2.158674
1 5.157588 -0.307833 1.288030

9_9
ENERGY= -910.106182
6 0.663644 0.315877 0.181719
6 2.881826 0.525599 0.010436
6 2.751552 -0.943943 -0.127798
16 1.207844 -1.497703 -0.047103
7 1.757372 1.154025 0.175878
7 -0.532834 0.691980 0.318215
6 -1.597779 -0.267243 0.293922
8 -1.398149 -1.471974 0.091712
6 4.205575 1.196768 -0.034909
1 4.853204 0.799578 0.757388
1 4.701443 0.979040 -0.989403
1 4.094347 2.274924 0.085990
7 -2.807624 0.286536 0.496547
6 -3.057105 1.689758 0.838743
1 -3.745997 2.117036 0.103679
1 -3.522237 1.736838 1.829468
1 -2.127274 2.251266 0.844414
6 -3.976794 -0.593042 0.486809
1 -4.189797 -0.946190 1.503463
1 -4.835425 -0.026884 0.120319
1 -3.788193 -1.450710 -0.157871
1 3.598806 -1.609010 -0.269470

9_10
ENERGY= -815.463187
6 0.629169 0.374724 -0.107249
6 2.856633 0.541955 -0.000361
6 2.709707 -0.932469 0.160564
16 1.166478 -1.462863 0.141153
7 1.739688 1.185010 -0.132874
7 -0.565526 0.737248 -0.237586
6 -1.661894 -0.185856 -0.255189
8 -1.620028 -1.161042 -0.980755
6 4.193704 1.183910 -0.000081
1 4.721052 0.945736 0.932606
1 4.800000 0.777839 -0.819914
1 4.100967 2.264810 -0.109112
1 3.551883 -1.609249 0.276566
6 -2.805258 0.229243 0.617158
1 -2.451274 0.460313 1.627914
1 -3.249536 1.146040 0.210885
1 -3.552345 -0.565003 0.647608

10_1
ENERGY= -1769.467869
6 -0.445754 0.252564 0.152076
6 1.848017 0.412906 0.194722
6 1.735126 -0.962419 -0.495529
16 0.032002 -1.096805 -1.060301
7 0.588125 0.830696 0.709577
7 -1.708599 0.550595 0.422322
6 -2.734518 -0.042305 -0.259005
8 -2.606435 -0.788101 -1.265976
1 2.446693 -1.120581 -1.303044
7 -3.999869 0.271703 0.203679
6 -4.232914 0.910614 1.492375
1 -5.097281 1.580560 1.414717
1 -4.446243 0.166768 2.276472
1 -3.355710 1.485308 1.782795
6 -5.154925 -0.392037 -0.382544
1 -5.408127 -1.320312 0.154313
1 -6.019684 0.278366 -0.330214
1 -4.952277 -0.637579 -1.424623
17 2.198420 -2.309668 0.734226
16 2.554614 1.606039 -1.103699
6 2.766463 3.082418 -0.045415
1 3.474088 2.884328 0.765455
1 3.167353 3.875759 -0.682266
1 1.806779 3.400923 0.367774
1 2.603811 0.389855 0.983388

10_2
ENERGY= -1808.753922
6 0.380791 -0.196229 0.239055
6 -1.919857 -0.343901 0.370259
6 -1.804726 1.024449 -0.362934
16 -0.115345 1.116966 -0.990119
7 -0.640538 -0.748013 0.846603
7 1.646875 -0.508076 0.481193
6 2.661199 0.054629 -0.241920
8 2.514950 0.779269 -1.261939
1 -2.539370 1.157298 -1.155201
7 3.934576 -0.267667 0.192545
6 4.196572 -0.889469 1.483920
1 5.039154 -1.584653 1.388598
1 4.458448 -0.137540 2.245192
1 3.314944 -1.433798 1.816288
6 5.083630 0.359966 -0.442538
1 5.379035 1.287196 0.074159
1 5.933351 -0.331072 -0.413868
1 4.848960 0.599153 -1.479240
17 -2.178764 2.475283 0.774045
6 -2.973766 -0.412637 1.475902
1 -3.948413 -0.066134 1.120988
1 -3.074386 -1.445067 1.823170
1 -2.665749 0.200797 2.328508
16 -2.525336 -1.501213 -1.071723
6 -2.174573 -3.150095 -0.365973
1 -2.839361 -3.386460 0.469603
1 -2.344971 -3.872839 -1.169156
1 -1.133571 -3.207403 -0.040729

10_3
ENERGY= -1848.035111
6 -0.336225 0.127259 0.210434
6 1.968217 0.172192 0.349864
6 1.809863 -1.071916 -0.583990
16 0.099053 -1.059511 -1.158697
7 0.707971 0.571152 0.862976
7 -1.588125 0.462754 0.496272
6 -2.630055 0.013699 -0.265461
8 -2.523350 -0.627536 -1.344523
1 2.509314 -1.066326 -1.417712
7 -3.885862 0.356719 0.204826
6 -4.113514 0.878357 1.546020
1 -4.927635 1.612326 1.517247
1 -4.401163 0.076457 2.244502
1 -3.208568 1.357164 1.914329
6 -5.065010 -0.170122 -0.465944
1 -5.399544 -1.118654 -0.015915
1 -5.882710 0.554090 -0.380337
1 -4.845651 -0.342909 -1.518970
17 2.231835 -2.712732 0.235131
6 3.050766 0.083180 1.451951
16 2.623082 1.476608 -0.954974
6 2.274721 3.046512 -0.089372
1 2.894214 3.165101 0.804662
1 2.514070 3.848474 -0.793895
1 1.218637 3.104022 0.182461
6 2.599792 -0.517760 2.792008
1 2.204981 -1.531145 2.684875
1 3.456026 -0.558741 3.477395
1 1.824980 0.101980 3.253077
1 3.408873 1.099311 1.649350
1 3.907723 -0.469157 1.050189

10_4
ENERGY= -1887.318503
6 -0.324575 0.104687 0.226869
6 1.979454 0.131371 0.357231
6 1.800857 -1.110502 -0.568173
16 0.101249 -1.031279 -1.183185
7 0.724068 0.511285 0.898229
7 -1.572763 0.447625 0.522036
6 -2.615045 0.047024 -0.265797
8 -2.509001 -0.557302 -1.366337
1 2.522287 -1.151432 -1.381831
7 -3.868904 0.398132 0.203322
6 -4.098586 0.887515 1.556142
1 -4.911341 1.623287 1.542155
1 -4.389103 0.070419 2.235587
1 -3.193740 1.356430 1.937365
6 -5.050957 -0.085591 -0.493967
1 -5.414099 -1.035011 -0.068625
1 -5.852593 0.655961 -0.404324
1 -4.820072 -0.241556 -1.547152
17 2.078557 -2.768639 0.281193
6 3.093212 0.129447 1.452801
16 2.538929 1.466808 -0.989282
6 2.113140 3.023607 -0.133479
1 2.777822 3.220354 0.712922
1 2.233311 3.823240 -0.870520
1 1.076521 2.996664 0.208785
6 2.683870 -0.558312 2.771209
1 2.633033 -1.645914 2.674417
1 3.430925 -0.324289 3.540566
1 1.712167 -0.195223 3.117119
6 4.465947 -0.374885 0.977291
1 4.785161 0.122625 0.056164
1 5.217521 -0.163577 1.747781
1 4.465509 -1.456092 0.805738
1 3.209236 1.192159 1.701637

10_5
ENERGY= -1886.103925
6 -0.621333 0.279814 0.134179
6 1.667626 0.511060 -0.021863
6 1.507578 -0.838100 -0.792571
16 -0.249871 -0.987374 -1.179825
7 0.450863 0.857333 0.616653
7 -1.854305 0.545772 0.544829
6 -2.936274 -0.040047 -0.051133
8 -2.900831 -0.753098 -1.089048
1 2.121592 -0.897550 -1.689405
7 -4.152426 0.242476 0.544654
6 -4.266486 0.855516 1.861205
1 -5.132322 1.528268 1.875794
1 -4.411255 0.095757 2.645572
1 -3.364612 1.422551 2.082452
6 -5.356888 -0.409474 0.053634
1 -5.577468 -1.331998 0.614240
1 -6.208801 0.270121 0.168765
1 -5.236747 -0.661851 -0.999269
17 2.104550 -2.319716 0.191248
16 2.042970 1.721129 -1.518654
6 1.710349 3.354070 -0.768337
1 2.502577 3.650441 -0.077419
1 1.662827 4.072141 -1.592336
1 0.749521 3.335931 -0.248686
6 2.868414 0.576211 0.907299
6 2.981814 1.644208 1.972624
6 2.762390 0.204927 2.368141
1 3.798947 0.302683 0.416046
1 2.143418 2.322574 2.093573
1 3.960461 2.089370 2.136024
1 3.587669 -0.353322 2.803426
1 1.778859 -0.062448 2.743277

10_6
ENERGY= -2106.518794
6 -0.279623 0.158746 0.279509
6 2.005308 0.212034 0.409225
6 1.867170 -1.075835 -0.464213
16 0.165791 -1.017158 -1.086702
7 0.765628 0.605514 0.946918
7 -1.523188 0.500014 0.556388
6 -2.559340 0.045099 -0.220717
8 -2.424625 -0.585768 -1.301076
1 2.588672 -1.113214 -1.277363
7 -3.817039 0.368984 0.239142
6 -4.071249 0.919568 1.564012
1 -4.832357 1.706160 1.493727
1 -4.444737 0.142598 2.248395
1 -3.154052 1.339037 1.971469
6 -4.990847 -0.117871 -0.470137
1 -5.396456 -1.026390 0.001255
1 -5.770865 0.651913 -0.453732
1 -4.728473 -0.345435 -1.502463
17 2.182376 -2.676725 0.438569
6 3.045367 0.141374 1.551421
16 2.720042 1.476574 -0.879465
6 2.074095 3.066901 -0.255308
1 2.652425 3.428623 0.597302
1 2.159761 3.774315 -1.084960
1 1.023903 2.956832 0.022598
9 2.643672 -0.633572 2.587516
9 3.283732 1.368358 2.081945
9 4.241666 -0.344619 1.135541

10_7
ENERGY= -1926.598728
6 -0.237988 0.212427 0.274375
6 2.061702 0.198977 0.468945
6 1.885281 -1.004399 -0.521523
16 0.205872 -0.848734 -1.180806
7 0.802448 0.583471 0.980615
7 -1.488631 0.540242 0.574665
6 -2.522310 0.183575 -0.245620
8 -2.402360 -0.335166 -1.387295
1 2.629567 -1.021592 -1.312566
7 -3.782587 0.480694 0.242612
6 -4.025168 0.860378 1.628140
1 -4.836969 1.596508 1.666391
1 -4.323573 -0.008758 2.235730
1 -3.123184 1.294462 2.054803
6 -4.955424 0.037117 -0.495690
1 -5.311322 -0.943619 -0.141322
1 -5.765173 0.762552 -0.358834
1 -4.716280 -0.041199 -1.555618
17 2.080880 -2.752179 0.193991
6 3.148589 0.129849 1.613046
16 2.704001 1.537030 -0.879971
6 1.606598 2.963684 -0.583684
1 1.732860 3.362635 0.425521
1 1.903963 3.724131 -1.313112
1 0.558957 2.702994 -0.748423
6 3.368236 1.541228 2.208363
1 2.425640 1.968281 2.564762
1 4.053019 1.467509 3.062147
1 3.809093 2.227652 1.480176
6 2.663072 -0.756014 2.788114
1 2.524088 -1.800105 2.506888
1 3.412159 -0.721462 3.589288
1 1.718477 -0.376743 3.189680
6 4.501243 -0.395373 1.091035
1 4.892787 0.234491 0.284417
1 5.236067 -0.381932 1.905511
1 4.433207 -1.424415 0.725292

10_8
ENERGY= -1566.249087
6 -0.776222 0.126915 0.083335
6 1.528980 0.248616 -0.045761
6 1.307241 -1.098465 -0.803999
16 -0.450555 -1.156736 -1.227824
7 0.316225 0.661662 0.566491
7 -1.998274 0.448455 0.493572
6 -3.109407 -0.088694 -0.091688
8 -3.119963 -0.821030 -1.116471
1 1.939063 -1.215495 -1.684254
7 -4.308407 0.270699 0.502973
6 -4.382179 0.906541 1.811538
1 -5.227777 1.604386 1.828764
1 -4.535750 0.164615 2.611561
1 -3.460907 1.450642 2.009343
6 -5.544591 -0.337913 0.036047
1 -5.795249 -1.244797 0.609940
1 -6.366806 0.376791 0.154148
1 -5.449524 -0.606895 -1.015363
6 2.734010 0.282267 0.974824
16 1.951021 1.421651 -1.572516
6 0.936771 2.901695 -1.239617
1 1.271012 3.426969 -0.341749
1 1.067237 3.553685 -2.109168
1 -0.118570 2.641091 -1.140884
6 3.002112 1.735098 1.428147
1 2.103831 2.184483 1.863472
1 3.788213 1.735920 2.193549
1 3.339831 2.364737 0.599258
6 2.389396 -0.525305 2.251128
1 2.238096 -1.586654 2.046145
1 3.217048 -0.432973 2.965996
1 1.485581 -0.131949 2.726842
6 4.024809 -0.284812 0.348775
1 4.315279 0.271741 -0.549283
1 4.847467 -0.201477 1.069752
1 3.923703 -1.342350 0.084032
9 1.612753 -2.234368 0.009580

10_9
ENERGY= -1361.708974
6 -0.330044 0.181694 0.262061
6 1.972383 0.250069 0.377967
6 1.801355 -1.030895 -0.469309
16 0.128776 -1.054153 -1.066192
7 0.712938 0.656838 0.896999
7 -1.585452 0.508151 0.529288
6 -2.614514 0.028141 -0.234326
8 -2.483007 -0.630407 -1.300117
1 2.548752 -1.182990 -1.242980
7 -3.878619 0.358875 0.216563
6 -4.128692 0.913360 1.540673
1 -4.948424 1.639290 1.481929
1 -4.419196 0.127593 2.255858
1 -3.232612 1.409588 1.907970
6 -5.043290 -0.189444 -0.462475
1 -5.372320 -1.136264 -0.005261
1 -5.869874 0.526536 -0.395769
1 -4.808790 -0.372113 -1.510672
6 3.048105 0.217572 1.462362
1 4.003698 -0.134257 1.064400
1 3.187041 1.221935 1.873150
1 2.736879 -0.441782 2.278318
16 2.594406 1.497291 -0.995910
6 2.297207 3.097026 -0.163873
1 2.978322 3.252290 0.677629
1 2.478292 3.872386 -0.914199
1 1.261893 3.157860 0.178430
35 2.210688 -2.817296 0.689089

10_10
ENERGY= -1714.125288
6 -0.321731 0.164187 0.236049
6 1.981071 0.243210 0.359031
6 1.820097 -1.046950 -0.499799
16 0.116079 -1.033186 -1.107260
7 0.706656 0.642016 0.876205
7 -1.593575 0.481316 0.533032
6 -2.613231 0.050060 -0.243845
8 -2.504695 -0.585037 -1.323320
1 2.536285 -1.115033 -1.316696
6 3.025438 0.165506 1.472957
1 3.991810 -0.173435 1.089608
1 3.153789 1.153389 1.924380
1 2.690913 -0.521618 2.256364
16 2.605136 1.512867 -0.951305
6 2.334441 3.096132 -0.078638
1 2.991444 3.199610 0.789177
1 2.572782 3.884125 -0.798862
1 1.291053 3.189726 0.229246
17 2.166629 -2.608529 0.475096
6 -4.004550 0.403069 0.256592
1 -3.976618 0.920853 1.218302
1 -4.509047 1.040436 -0.480099
1 -4.601545 -0.511664 0.353442

11_1
ENERGY= -1769.463359
6 -0.451440 0.327177 0.050041
6 1.834168 0.315725 0.267877
6 1.614267 -1.208560 0.269041
16 -0.127481 -1.410319 0.695968
7 0.643194 1.002088 -0.163566
7 -1.680843 0.782438 -0.170859
6 -2.775267 0.059353 0.201711
8 -2.754788 -1.005726 0.876480
7 -3.992223 0.606256 -0.172336
6 -4.100778 1.686362 -1.144065
1 -4.236299 1.299332 -2.166857
1 -4.969957 2.307039 -0.897323
1 -3.201515 2.298877 -1.117951
6 -5.211055 -0.156221 0.052310
1 -6.043108 0.535322 0.224888
1 -5.464490 -0.786724 -0.815442
1 -5.089551 -0.797958 0.924313
16 3.353616 0.821177 -0.658803
6 3.581698 2.486706 0.064585
1 3.740986 2.427913 1.145576
1 4.472424 2.914672 -0.403479
1 2.720750 3.124112 -0.150725
17 2.013974 -2.005185 -1.386113
1 2.271516 -1.730081 0.961493
1 2.052721 0.569944 1.318362

11_2
ENERGY= -1808.748066
6 -0.487839 0.299445 0.182676
6 1.810762 0.328906 0.451442
6 1.607823 -1.209536 0.280693
16 -0.147032 -1.497081 0.598636
7 0.592677 1.020780 0.102152
7 -1.721552 0.759555 -0.017568
6 -2.809658 -0.027645 0.211910
8 -2.788319 -1.177337 0.730589
7 -4.026914 0.545007 -0.124673
6 -4.126094 1.743351 -0.947250
1 -4.221828 1.494237 -2.016499
1 -5.014325 2.312979 -0.650045
1 -3.239660 2.359727 -0.809937
6 -5.234542 -0.263404 -0.053060
1 -6.088533 0.382915 0.177994
1 -5.441332 -0.775433 -1.007017
1 -5.130325 -1.014943 0.728866
6 2.163677 0.584685 1.934397
1 3.130816 0.144550 2.198614
1 2.196718 1.659360 2.129388
1 1.388364 0.153427 2.577878
16 3.229359 0.913232 -0.632505
6 3.384507 2.658162 -0.104532
1 3.829179 2.753849 0.889121
1 4.046251 3.134243 -0.833922
1 2.410158 3.152209 -0.131338
17 2.088036 -1.883918 -1.403427
1 2.239396 -1.784817 0.954513

11_3
ENERGY= -1848.033240
6 -0.431026 0.281913 0.158232
6 1.871105 0.252701 0.426572
6 1.625271 -1.275469 0.230995
16 -0.134381 -1.525908 0.553093
7 0.666615 0.977033 0.085931
7 -1.653283 0.772871 -0.042355
6 -2.758314 0.009879 0.186418
8 -2.762076 -1.136713 0.712607
7 -3.962889 0.604505 -0.158580
6 -4.035327 1.793984 -0.996548
1 -4.144915 1.532519 -2.061534
1 -4.906041 2.391608 -0.702096
1 -3.131743 2.387903 -0.873310
6 -5.187455 -0.177923 -0.083618
1 -6.028818 0.489575 0.133117
1 -5.399379 -0.698479 -1.031872
1 -5.104909 -0.921041 0.708814
6 2.200396 0.513134 1.929090
1 2.173439 1.598784 2.070193
1 1.354092 0.116613 2.504636
16 3.283407 0.825989 -0.670601
6 3.486310 2.553552 -0.105807
1 3.945551 2.615467 0.884486
1 4.150532 3.030885 -0.832117
1 2.524547 3.072089 -0.106812
17 2.081757 -1.931707 -1.468431
1 2.239227 -1.886869 0.886563
6 3.510687 -0.048434 2.491848
1 4.385373 0.362861 1.977732
1 3.589997 0.210244 3.554492
1 3.565960 -1.140934 2.419997

11_4
ENERGY= -1887.316318
6 -0.503422 0.195435 0.232990
6 1.800899 0.176633 0.590633
6 1.558116 -1.373701 0.435808
16 -0.231043 -1.636417 0.427798
7 0.584020 0.898508 0.340002
7 -1.711172 0.717756 0.010332
6 -2.824124 -0.066699 0.003762
8 -2.854927 -1.303634 0.250562
7 -4.009702 0.602100 -0.266000
6 -4.039477 1.961628 -0.788593
1 -4.049059 1.973021 -1.890676
1 -4.948259 2.462961 -0.435806
1 -3.166733 2.511240 -0.441069
6 -5.226849 -0.168780 -0.470499
1 -6.088780 0.419935 -0.137259
1 -5.376298 -0.422588 -1.532839
1 -5.178833 -1.093038 0.104013
6 2.319666 0.497990 2.041093
1 2.386284 1.592095 2.071352
16 3.077267 0.757104 -0.691989
6 3.192596 2.533850 -0.276206
1 3.789021 2.711590 0.623209
1 3.687400 3.012794 -1.126363
1 2.192873 2.957976 -0.155771
17 2.334598 -2.191439 -1.065516
1 2.026406 -1.933972 1.240284
6 3.709248 -0.069113 2.373147
1 4.472569 0.271976 1.668288
1 4.003524 0.254661 3.378685
1 3.718753 -1.166668 2.372626
6 1.311633 0.094584 3.135038
1 0.311580 0.487776 2.931203
1 1.236793 -0.993823 3.246813
1 1.644072 0.498864 4.098658

11_5
ENERGY= -1886.099371
6 -0.773237 0.266686 0.013306
6 1.543484 0.204349 0.015143
6 1.254016 -1.321662 0.248902
16 -0.478228 -1.429147 0.742256
7 0.324503 0.892793 -0.303052
7 -1.996735 0.759571 -0.168087
6 -3.094610 0.101946 0.301084
8 -3.078353 -0.925786 1.031805
7 -4.309565 0.675261 -0.040859
6 -4.431211 1.696801 -1.072319
1 -4.655881 1.253611 -2.055937
1 -5.249177 2.378768 -0.811900
1 -3.502102 2.258690 -1.145517
6 -5.541808 -0.022063 0.294571
1 -6.338343 0.712061 0.458817
1 -5.862332 -0.699209 -0.513928
1 -5.399886 -0.607943 1.202130
16 2.779360 0.397457 -1.403071
6 3.051559 2.205764 -1.396876
1 3.625972 2.531094 -0.527515
1 3.619712 2.425063 -2.305922
1 2.096028 2.733895 -1.433559
17 1.573350 -2.443247 -1.228892
1 1.914184 -1.746578 1.001520
6 2.204354 0.729322 1.301313
6 2.072564 2.163690 1.756681
6 1.399136 1.066913 2.540427
1 3.171415 0.265851 1.487318
1 1.431146 2.814254 1.170379
1 2.956420 2.641830 2.172156
1 1.815214 0.773090 3.500961
1 0.317188 1.002936 2.477101

11_6
ENERGY= -2106.517472
6 -0.376233 0.208339 0.464842
6 1.875609 0.185219 0.955833
6 1.569534 -1.337090 1.082234
16 -0.024055 -1.587975 0.210241
7 0.651006 0.898478 0.921812
7 -1.560999 0.745698 0.239583
6 -2.571703 -0.006663 -0.303625
8 -2.441990 -1.183884 -0.730475
7 -3.796693 0.621032 -0.365929
6 -4.002786 2.022840 -0.027262
1 -4.111878 2.634724 -0.935758
1 -4.920792 2.126001 0.564458
1 -3.157973 2.392331 0.549421
6 -4.906879 -0.020883 -1.053567
1 -5.830655 0.134080 -0.483815
1 -5.050504 0.403517 -2.059281
1 -4.713855 -1.088668 -1.145220
6 2.683629 0.665980 2.182255
16 2.940738 0.490779 -0.607631
6 2.498332 2.218076 -1.011091
1 2.950860 2.926650 -0.314247
1 2.892760 2.394219 -2.016120
1 1.413688 2.338775 -1.016541
17 2.852216 -2.485566 0.476200
1 1.456948 -1.604933 2.132909
9 3.869272 0.020407 2.316056
9 2.004572 0.449363 3.342785
9 2.958140 1.990442 2.139195

11_7
ENERGY= -1926.599541
6 -0.496421 0.172892 0.356225
6 1.742917 0.165473 0.996209
6 1.473517 -1.375044 0.887247
16 -0.091062 -1.588395 -0.035441
7 0.486339 0.834216 0.912048
7 -1.695448 0.701770 0.127437
6 -2.665384 -0.014639 -0.513432
8 -2.509791 -1.149005 -1.040686
7 -3.908270 0.594741 -0.557111
6 -4.128459 1.974783 -0.146467
1 -4.083100 2.662475 -1.006237
1 -5.123117 2.062937 0.306564
1 -3.373954 2.271067 0.579151
6 -4.959519 0.018587 -1.381607
1 -5.928750 0.162054 -0.890270
1 -5.004996 0.498336 -2.372770
1 -4.777913 -1.046827 -1.516307
6 2.484699 0.558052 2.339383
16 2.816745 0.644526 -0.560990
6 2.183099 2.301570 -1.001172
1 2.587608 3.086478 -0.357365
1 2.502082 2.480930 -2.032556
1 1.092751 2.312420 -0.949835
17 2.794312 -2.421087 0.143200
1 1.367895 -1.806485 1.880670
6 3.794405 -0.229661 2.541626
1 4.474712 -0.105548 1.692821
1 4.303787 0.142303 3.439180
1 3.620162 -1.301335 2.685720
6 1.551742 0.283292 3.544005
1 0.630736 0.868876 3.469439
1 1.275763 -0.773458 3.638029
1 2.065494 0.563906 4.471509
6 2.819215 2.064047 2.348562
1 3.221888 2.342418 3.330291
1 3.576122 2.310409 1.597147
1 1.927918 2.669708 2.159649

11_8
ENERGY= -1566.246809
6 0.870816 -0.165231 0.181017
6 -1.443686 -0.291658 0.088930
6 -1.282439 1.190969 0.552627
16 0.469165 1.643494 0.328074
7 -0.180322 -0.943830 0.157095
7 2.118830 -0.622422 0.155789
6 3.187551 0.226624 0.118394
8 3.127921 1.479122 -0.002105
7 4.423592 -0.390405 0.232285
6 4.594329 -1.835932 0.177766
1 4.839035 -2.173798 -0.842202
1 5.419124 -2.127684 0.838870
1 3.680449 -2.329896 0.500744
6 5.632681 0.383175 -0.005838
1 6.429688 0.028597 0.657788
1 5.982071 0.277081 -1.045816
1 5.440261 1.436630 0.192832
6 -2.533203 -1.060744 0.935158
16 -1.991251 -0.155193 -1.782420
6 -1.153283 -1.587391 -2.548836
1 -1.619833 -2.537602 -2.277858
1 -1.242538 -1.438599 -3.629615
1 -0.097976 -1.606946 -2.271023
1 -1.572891 1.323830 1.594974
6 -3.873907 -0.298500 0.965047
1 -4.265660 -0.138302 -0.044732
1 -4.613350 -0.883554 1.525370
1 -3.789749 0.677167 1.457541
6 -2.023708 -1.231607 2.386857
1 -1.095001 -1.809706 2.410845
1 -1.841525 -0.274702 2.890005
1 -2.778347 -1.766325 2.976597
6 -2.782452 -2.469541 0.360076
1 -3.448617 -3.026770 1.030409
1 -3.263714 -2.421406 -0.621994
1 -1.847652 -3.030313 0.264397
9 -2.120322 2.084467 -0.155433

11_9
ENERGY= -1361.703998
6 -0.449890 0.322139 0.189748
6 1.843795 0.288633 0.482552
6 1.582866 -1.236833 0.379317
16 -0.154383 -1.472960 0.671173
7 0.652700 1.007304 0.098661
7 -1.669395 0.798342 -0.043102
6 -2.776283 0.045093 0.216460
8 -2.779928 -1.066729 0.812217
7 -3.977546 0.609539 -0.181085
6 -4.050646 1.745962 -1.089756
1 -4.188355 1.418608 -2.132865
1 -4.905172 2.376411 -0.816261
1 -3.135393 2.330875 -1.023646
6 -5.201903 -0.166995 -0.056110
1 -6.044397 0.512760 0.113187
1 -5.410557 -0.750246 -0.967705
1 -5.119951 -0.854829 0.784895
6 2.187266 0.575634 1.967548
1 3.130058 0.101574 2.258702
1 2.266769 1.653974 2.125410
1 1.384757 0.201834 2.612715
16 3.294252 0.797535 -0.589233
6 3.523105 2.538262 -0.072656
1 3.982909 2.622055 0.915210
1 4.193580 2.984483 -0.812986
1 2.568137 3.069544 -0.091529
1 2.220093 -1.839648 1.019703
35 2.132436 -2.119011 -1.518739

11_10
ENERGY= -1714.121041
6 -0.434300 0.277462 0.192534
6 1.856000 0.262068 0.486944
6 1.605550 -1.276794 0.423692
16 -0.166451 -1.481064 0.740035
7 0.658201 0.964040 0.074988
7 -1.662706 0.764455 -0.075635
6 -2.767258 0.055738 0.237948
8 -2.797183 -1.036539 0.863478
6 2.191743 0.619596 1.952104
1 3.143568 0.176671 2.262226
1 2.249519 1.704535 2.067523
1 1.397296 0.255889 2.613478
16 3.293202 0.727801 -0.621799
6 3.506359 2.494987 -0.198794
1 3.955931 2.633812 0.787418
1 4.181574 2.904680 -0.955486
1 2.548407 3.017801 -0.254865
1 2.206624 -1.819911 1.150022
17 2.077338 -2.083456 -1.195879
6 -4.083612 0.671852 -0.209077
1 -4.735029 0.821915 0.660339
1 -3.938172 1.626731 -0.719950
1 -4.600822 -0.022146 -0.883060

TS1_1
ENERGY= -1769.409533
6 -0.621313 0.432386 0.098714
6 1.510209 1.080724 0.234925
6 1.740386 -0.265704 0.485009
16 0.152808 -1.094533 0.567837
7 0.192775 1.433192 -0.036663
7 -1.998430 0.582838 -0.079005
1 -2.272502 1.529075 -0.311015
6 -2.942308 -0.417921 0.038411
8 -2.606896 -1.565154 0.389466
16 2.938928 -1.450181 -1.055631
6 4.278215 -0.225629 -1.280373
1 4.787048 -0.415978 -2.230722
1 3.854376 0.786346 -1.316623
1 5.013531 -0.275677 -0.470625
17 2.919685 -0.659595 2.018512
7 -4.231835 -0.069436 -0.265029
6 -4.624127 1.296010 -0.608595
1 -5.667868 1.282590 -0.927285
1 -4.538068 1.982294 0.245525
1 -4.033931 1.681367 -1.447159
6 -5.306967 -1.010403 0.039499
1 -5.857925 -0.701149 0.938472
1 -6.005597 -1.054931 -0.802340
1 -4.881670 -1.998900 0.205451
1 2.276967 1.844147 0.198324

TS1_2
ENERGY= -1808.702301
6 0.733400 0.598111 -0.028687
6 -1.374300 1.368240 -0.098645
6 -1.654596 0.039227 -0.357572
16 -0.133389 -0.883665 -0.448568
7 -0.025049 1.641533 0.124066
7 2.117960 0.678781 0.128131
1 2.442308 1.606686 0.369418
6 3.010358 -0.362588 -0.036602
8 2.609108 -1.486733 -0.393231
6 -2.384115 2.461606 0.080309
1 -3.307583 2.233473 -0.462842
1 -2.655933 2.607649 1.138346
1 -1.997242 3.418648 -0.291048
16 -2.899230 -1.162994 1.210030
6 -4.674579 -0.790680 0.913546
1 -5.238238 -0.983972 1.833461
1 -4.806679 0.262698 0.646669
1 -5.085739 -1.408462 0.109717
17 -2.889426 -0.344114 -1.902340
7 4.323078 -0.078585 0.228897
6 4.789573 1.258357 0.591662
1 5.843873 1.190272 0.865276
1 4.700365 1.970775 -0.240209
1 4.252232 1.646603 1.464057
6 5.343507 -1.070727 -0.099626
1 5.919474 -0.761855 -0.982504
1 6.031116 -1.187946 0.744705
1 4.861265 -2.025056 -0.304876

TS1_3
ENERGY= -1847.989399
6 -0.775442 0.658986 -0.042900
6 1.307279 1.497779 -0.008481
6 1.632601 0.181964 0.260913
16 0.144534 -0.791167 0.374847
7 -0.053796 1.724436 -0.215057
7 -2.163352 0.691728 -0.187048
1 -2.520406 1.605473 -0.435874
6 -3.018276 -0.378569 -0.010080
8 -2.574777 -1.489386 0.337375
6 2.277086 2.633491 -0.182530
1 3.293036 2.248564 -0.040424
1 2.231438 3.003719 -1.219994
16 2.889991 -1.024136 -1.302074
6 4.672694 -0.656809 -1.042810
1 5.230808 -0.967663 -1.933655
1 4.832551 0.416373 -0.898022
1 5.068686 -1.190474 -0.174060
17 2.900395 -0.144507 1.800267
7 -4.344126 -0.138146 -0.254686
6 -4.863661 1.192632 -0.565990
1 -5.923588 1.098261 -0.807719
1 -4.768654 1.885379 0.281656
1 -4.367732 1.620903 -1.444104
6 -5.320975 -1.169848 0.085654
1 -5.843786 -0.925677 1.020724
1 -6.059504 -1.254503 -0.717974
1 -4.808546 -2.123269 0.203706
6 2.043086 3.817512 0.772933
1 2.761245 4.624289 0.578001
1 1.033634 4.226600 0.650679
1 2.155930 3.507050 1.819019

TS1_4
ENERGY= -1887.270865
6 -0.785601 0.718476 -0.000295
6 1.286716 1.599432 0.104459
6 1.620290 0.286869 0.382815
16 0.147257 -0.716252 0.418262
7 -0.077267 1.797407 -0.139300
7 -2.164650 0.726139 -0.214588
1 -2.526591 1.633725 -0.478702
6 -3.008701 -0.356347 -0.057874
8 -2.559811 -1.456062 0.316473
6 2.162757 2.836605 0.061660
1 1.711626 3.489884 -0.700075
16 2.930881 -0.992548 -1.101874
6 4.724016 -1.008988 -0.696349
1 5.240110 -1.659270 -1.413087
1 5.158800 -0.006878 -0.764871
1 4.890545 -1.399130 0.311705
17 2.795478 -0.061669 2.009374
7 -4.327768 -0.141036 -0.355036
6 -4.857449 1.176359 -0.703562
1 -5.903864 1.059311 -0.990117
1 -4.812398 1.879535 0.139561
1 -4.331737 1.604721 -1.564096
6 -5.300062 -1.185674 -0.041987
1 -5.870017 -0.935133 0.863327
1 -5.998993 -1.298743 -0.877012
1 -4.775979 -2.126650 0.117229
6 2.116408 3.614430 1.396389
1 2.658370 4.566210 1.309976
1 1.082690 3.838487 1.685420
1 2.576941 3.030753 2.202193
6 3.616330 2.576457 -0.362738
1 3.666202 2.072002 -1.333286
1 4.157682 3.527994 -0.439686
1 4.138247 1.949265 0.367204

TS1_5
ENERGY= -1886.056591
6 -0.677788 0.562278 0.165354
6 1.431614 1.295721 0.370549
6 1.718373 -0.049486 0.221701
16 0.199191 -0.970213 0.098419
7 0.076828 1.611048 0.293913
7 -2.066449 0.673773 0.082952
1 -2.397114 1.629426 0.127015
6 -2.953830 -0.380307 -0.020212
8 -2.540550 -1.555327 -0.008431
16 2.899388 -0.755062 -1.670247
6 4.692638 -0.496298 -1.361062
1 5.227915 -0.549817 -2.316186
1 4.875184 0.490664 -0.923510
1 5.095223 -1.258068 -0.687422
17 3.009851 -0.854059 1.548012
7 -4.274880 -0.045860 -0.149349
6 -4.752345 1.334945 -0.101866
1 -5.816691 1.337767 -0.342805
1 -4.628270 1.784799 0.893007
1 -4.248286 1.957519 -0.849356
6 -5.282548 -1.100962 -0.078105
1 -5.813240 -1.072244 0.883301
1 -6.011008 -0.970799 -0.885299
1 -4.795414 -2.068651 -0.186997
6 2.441455 2.373604 0.509487
6 2.345823 3.664451 -0.291043
6 2.121068 3.684113 1.202151
1 3.449258 1.997556 0.664142
1 1.475680 3.783795 -0.931843
1 3.264601 4.094020 -0.684696
1 2.886247 4.128026 1.835134
1 1.102066 3.820495 1.555034

TS1_6
ENERGY= -2106.481257
6 -0.670787 0.610434 0.149598
6 1.417763 1.365279 0.368542
6 1.735635 -0.010056 0.499725
16 0.157397 -0.890818 0.611407
7 0.087412 1.650720 0.057981
7 -2.041835 0.681849 -0.085964
1 -2.360763 1.603585 -0.357309
6 -2.936795 -0.359275 0.093099
8 -2.540301 -1.458252 0.523771
6 2.366178 2.462150 0.166877
16 2.663025 -1.039080 -1.304197
6 4.408659 -0.471155 -1.356701
1 4.921932 -1.000231 -2.167191
1 4.475016 0.603854 -1.548408
1 4.918621 -0.699523 -0.415610
17 2.920210 -0.546256 1.806537
7 -4.235056 -0.101905 -0.243114
6 -4.695486 1.207778 -0.702398
1 -5.729499 1.108128 -1.036629
1 -4.667950 1.961178 0.096670
1 -4.109359 1.559415 -1.558299
6 -5.261233 -1.092202 0.075459
1 -5.891061 -0.745901 0.905537
1 -5.895819 -1.261332 -0.800838
1 -4.781132 -2.027842 0.357397
9 1.962644 3.639801 0.751529
9 3.613917 2.203256 0.639182
9 2.563911 2.824658 -1.169013

TS1_7
ENERGY= -1926.557967
6 -0.685884 0.684740 0.046243
6 1.409696 1.525041 0.088246
6 1.718921 0.200979 0.343703
16 0.227536 -0.773061 0.412384
7 0.039018 1.748961 -0.101583
7 -2.070537 0.723598 -0.124941
1 -2.417408 1.631763 -0.406639
6 -2.932270 -0.342547 0.051386
8 -2.490690 -1.464602 0.362752
6 2.314242 2.746998 -0.079989
16 2.999557 -1.030194 -1.234362
6 4.743791 -1.335041 -0.733188
1 5.283069 -1.769760 -1.583665
1 5.243317 -0.402248 -0.452626
1 4.799328 -2.030040 0.109606
17 2.897354 -0.273868 1.941521
7 -4.262655 -0.076240 -0.125401
6 -4.757859 1.225457 -0.570642
1 -5.848607 1.201072 -0.553146
1 -4.439443 2.028281 0.103964
1 -4.440324 1.461769 -1.595449
6 -5.215071 -1.183842 -0.115067
1 -6.077871 -0.922620 0.506540
1 -5.567467 -1.407573 -1.131119
1 -4.731045 -2.068268 0.296167
6 1.938914 3.814692 0.976735
1 2.554573 4.715105 0.847437
1 0.886326 4.104698 0.888133
1 2.103439 3.434314 1.992625
6 3.811778 2.418765 0.066114
1 4.119893 1.644173 -0.642789
1 4.400512 3.322744 -0.136262
1 4.057721 2.072690 1.073683
6 2.092009 3.346414 -1.491743
1 2.696202 4.254617 -1.620062
1 2.385529 2.630837 -2.269897
1 1.040753 3.608676 -1.648503

TS1_8
ENERGY= -1566.201833
6 -1.047530 0.303690 -0.030286
6 1.128734 0.911066 -0.004466
6 1.338550 -0.489240 -0.003896
16 -0.285168 -1.287736 0.013106
7 -0.209832 1.290289 -0.056826
7 -2.434913 0.519718 -0.088364
1 -2.678345 1.496682 -0.187492
6 -3.413749 -0.436225 0.036644
8 -3.120363 -1.645613 0.125745
6 2.174551 2.024406 -0.094254
16 2.453913 -1.403956 -1.535962
6 3.929975 -2.282435 -0.865953
1 4.472876 -2.714175 -1.715065
1 4.595683 -1.592148 -0.340104
1 3.637456 -3.087494 -0.187152
7 -4.712602 0.020191 0.072233
6 -5.058155 1.421160 -0.156163
1 -6.124623 1.548469 0.039811
1 -4.523141 2.081581 0.534738
1 -4.860779 1.739547 -1.190285
6 -5.792104 -0.951019 -0.087802
1 -6.634897 -0.664967 0.549005
1 -6.139134 -0.996451 -1.130646
1 -5.436612 -1.936366 0.209669
6 1.807640 3.167652 0.882628
1 2.544295 3.980191 0.814210
1 0.819242 3.581018 0.658277
1 1.795901 2.806605 1.919131
6 3.591055 1.535259 0.270700
1 3.921629 0.730052 -0.391412
1 4.302360 2.366839 0.177375
1 3.633935 1.166001 1.301485
6 2.211776 2.607936 -1.531772
1 2.924631 3.442368 -1.602870
1 2.511876 1.839482 -2.253629
1 1.222809 2.982246 -1.822703
9 2.165596 -1.059130 1.111891

TS1_10
ENERGY= -1714.078600
6 -0.698265 0.585148 0.017111
6 1.391004 1.381406 0.162375
6 1.704752 0.026610 0.250605
16 0.194315 -0.922250 0.248545
7 0.044123 1.652678 -0.012785
7 -2.088249 0.656775 -0.111817
1 -2.441519 1.596522 -0.257079
6 -2.969107 -0.382520 -0.064190
8 -2.587725 -1.550417 0.112453
6 2.388809 2.498323 0.091373
1 3.287094 2.263577 0.673502
1 2.716060 2.697050 -0.942160
1 1.960636 3.427907 0.484260
16 2.921025 -0.893957 -1.477983
6 4.695110 -0.522158 -1.172880
1 5.236323 -0.572826 -2.124563
1 4.811870 0.487237 -0.766340
1 5.140894 -1.235512 -0.473565
17 2.944816 -0.509488 1.693962
6 -4.429480 -0.028942 -0.240287
1 -4.605697 1.041558 -0.376366
1 -4.822909 -0.565422 -1.110556
1 -4.986796 -0.370843 0.638392

TS2_2
ENERGY= -1808.744296
6 -0.177490 -0.204856 0.575462
6 1.965746 -0.345701 1.263551
6 2.169181 -0.914374 -0.129723
16 0.553958 -0.810374 -0.955120
7 0.763271 -0.013494 1.594266
7 -1.414917 0.059469 0.798955
6 -2.356635 -0.130294 -0.228543
8 -2.040269 -0.454878 -1.390689
1 2.933724 -0.368481 -0.678821
7 -3.644384 0.086044 0.149941
6 -4.069059 0.421041 1.506955
1 -4.669051 1.338598 1.486169
1 -4.687792 -0.388262 1.915402
1 -3.201714 0.569266 2.144904
6 -4.723321 -0.088993 -0.815516
1 -5.355808 -0.938687 -0.527559
1 -5.346026 0.812935 -0.839838
1 -4.304607 -0.269139 -1.803973
17 2.789420 -2.653629 -0.005963
16 3.080106 2.545158 -0.354047
6 1.390426 3.302239 -0.292709
1 1.418070 4.307241 0.145230
1 0.950989 3.385249 -1.293891
1 0.713889 2.691367 0.318306
6 3.097190 -0.287419 2.236950
1 3.284408 -1.291718 2.639563
1 4.014230 0.053672 1.750512
1 2.847193 0.378280 3.065558

TS2_3
ENERGY= -1848.031722
6 -0.378902 -0.183395 0.425376
6 1.803250 -0.296560 0.985697
6 1.919117 -0.918756 -0.396624
16 0.273315 -0.785767 -1.144903
7 0.610886 0.016058 1.384716
7 -1.609767 0.067111 0.710487
6 -2.598075 -0.118109 -0.268376
8 -2.342439 -0.421825 -1.451973
1 2.686296 -0.456640 -1.010127
7 -3.869174 0.078540 0.177915
6 -4.226665 0.411036 1.554201
1 -4.820347 1.333281 1.566545
1 -4.831935 -0.395045 1.988502
1 -3.328870 0.550135 2.150743
6 -4.994594 -0.084709 -0.734304
1 -5.639141 -0.905823 -0.395373
1 -5.591262 0.835413 -0.757070
1 -4.625925 -0.303742 -1.734679
17 2.455729 -2.701888 -0.227880
16 2.675857 2.412657 -0.547373
6 1.026817 3.177392 -0.226450
1 1.125687 4.156068 0.258312
1 0.457653 3.315897 -1.153254
1 0.436028 2.533510 0.437902
6 2.993000 -0.264079 1.901295
1 3.192301 -1.305132 2.198464
1 3.864089 0.052721 1.318889
6 2.826913 0.604189 3.149768
1 1.995683 0.256852 3.771132
1 3.742611 0.564355 3.749922
1 2.638302 1.647720 2.877763

TS2_4
ENERGY= -1887.311205
6 0.598689 0.087578 -0.404160
6 -1.593884 0.275057 -0.890343
6 -1.644053 0.705963 0.537739
16 -0.047718 0.440962 1.256230
7 -0.390213 0.049026 -1.360023
7 1.834974 -0.128619 -0.716355
6 2.814546 -0.121852 0.282633
8 2.558451 -0.009346 1.500484
6 -2.780253 0.331111 -1.832191
1 -3.687030 0.357656 -1.217822
7 4.088572 -0.266237 -0.181176
6 4.452474 -0.382889 -1.589977
1 5.081696 0.466717 -1.885576
1 5.024128 -1.306012 -1.747552
1 3.557529 -0.401060 -2.206552
6 5.207103 -0.280362 0.752773
1 5.769746 -1.216552 0.648430
1 5.886325 0.555279 0.540560
1 4.833595 -0.193474 1.771446
1 -2.518679 0.560981 1.149057
17 -1.901296 2.864332 0.455685
16 -2.429864 -2.073381 0.626829
6 -4.263361 -2.007133 0.483118
1 -4.700615 -2.874296 0.991722
1 -4.666898 -1.105184 0.958607
1 -4.590077 -2.024624 -0.562481
6 -2.835454 -0.901181 -2.754192
1 -3.742897 -0.858483 -3.367746
1 -1.970959 -0.917910 -3.426576
1 -2.839986 -1.828148 -2.174695
6 -2.747118 1.613239 -2.699613
1 -3.620482 1.617734 -3.362358
1 -2.767054 2.520554 -2.092594
1 -1.846036 1.628459 -3.323403

TS2_5
ENERGY= -1886.097684
6 -0.356795 -0.097470 0.435771
6 1.833617 -0.192566 0.961343
6 1.917575 -0.911820 -0.373680
16 0.282288 -0.751727 -1.128406
7 0.633331 0.130205 1.367985
7 -1.593576 0.155734 0.713833
6 -2.579661 -0.054922 -0.254656
8 -2.329812 -0.344219 -1.444510
1 2.715026 -0.569812 -1.022817
7 -3.855749 0.108775 0.198361
6 -4.213768 0.355610 1.591970
1 -4.884937 1.220938 1.649080
1 -4.737582 -0.515201 2.008798
1 -3.318857 0.550723 2.177511
6 -4.978563 -0.103836 -0.706237
1 -5.495941 -1.042845 -0.466202
1 -5.693423 0.720142 -0.600913
1 -4.619195 -0.145613 -1.733083
17 2.348078 -2.722984 -0.050992
16 2.720833 2.224656 -0.592649
6 1.168548 3.141899 -0.219766
1 1.381018 4.123507 0.219882
1 0.561578 3.294997 -1.119605
1 0.566967 2.573886 0.502521
6 2.992130 -0.182996 1.870229
6 2.966158 0.616932 3.154992
6 2.856332 -0.873227 3.235024
1 3.952024 -0.293479 1.377167
1 2.072129 1.203323 3.344233
1 3.900188 1.087283 3.450103
1 3.712981 -1.449958 3.573155
1 1.886462 -1.302862 3.468230

TS2_7
ENERGY= -1926.595667
6 -0.764090 0.185458 0.266419
6 1.447645 0.567132 0.492123
6 1.459620 -0.076814 -0.851289
16 -0.165947 -0.667721 -1.215575
7 0.254968 0.748854 1.001760
7 -1.993377 0.281081 0.656705
6 -3.005329 -0.330032 -0.092571
8 -2.785630 -1.050613 -1.089466
6 2.661205 1.199841 1.176583
7 -4.266472 -0.083951 0.362767
6 -4.585775 0.746757 1.519851
1 -5.156528 0.159240 2.249956
1 -3.671784 1.110062 1.982372
1 -5.200981 1.600513 1.207949
6 -5.415142 -0.662690 -0.322568
1 -5.076783 -1.235568 -1.184023
1 -5.968062 -1.321325 0.359419
1 -6.091866 0.133918 -0.656193
1 2.310640 -0.625351 -1.218708
17 1.778067 1.596233 -2.227638
16 2.042487 -2.309630 0.991490
6 2.231734 -3.424008 -0.462394
1 2.354863 -4.457158 -0.116745
1 1.349297 -3.386152 -1.111298
1 3.114789 -3.163550 -1.057616
6 2.678971 0.791053 2.668187
1 3.511885 1.298397 3.169560
1 1.749256 1.079029 3.168048
1 2.816349 -0.288872 2.777597
6 2.505871 2.743526 1.100452
1 3.350550 3.212704 1.619090
1 2.498961 3.093555 0.064570
1 1.579795 3.067087 1.586447
6 3.989984 0.791047 0.515378
1 4.820354 1.253009 1.061982
1 4.122517 -0.295139 0.543027
1 4.045785 1.129681 -0.524158

TS2_8
ENERGY= -1566.240433
6 -0.840793 -0.304784 0.047392
6 1.413746 -0.466323 0.025498
6 1.284224 0.417150 1.267601
16 -0.454358 0.917499 1.338724
7 0.270103 -0.915546 -0.459428
7 -2.025760 -0.597837 -0.396421
6 -3.149853 0.044110 0.119541
8 -3.106927 0.963260 0.967110
6 2.695422 -1.265275 -0.248520
7 -4.336389 -0.406571 -0.389905
6 -4.463806 -1.472447 -1.377581
1 -5.008974 -1.101460 -2.255194
1 -3.478718 -1.816302 -1.682408
1 -5.028445 -2.313449 -0.953544
6 -5.593351 0.177300 0.057266
1 -5.394758 0.944038 0.803976
1 -6.125700 0.625593 -0.791891
1 -6.235743 -0.598664 0.493497
1 1.963375 1.262144 1.315150
16 1.799501 1.741182 -1.491961
6 2.495809 3.151994 -0.529590
1 2.725629 3.985504 -1.203801
1 1.789104 3.515561 0.225903
1 3.427528 2.869057 -0.024017
6 2.804015 -1.617083 -1.746403
1 3.695311 -2.235016 -1.910768
1 1.928981 -2.180553 -2.084255
1 2.889896 -0.709624 -2.350793
6 2.594829 -2.599255 0.548124
1 3.484945 -3.205542 0.340184
1 2.542601 -2.427581 1.626661
1 1.711719 -3.170099 0.242492
6 3.961146 -0.511320 0.199208
1 4.843939 -1.126286 -0.011995
1 4.060926 0.433593 -0.343438
1 3.956209 -0.303140 1.274874
9 1.589782 -0.372027 2.430115

TS2_9
ENERGY= -1361.701091
6 -0.798451 -0.047475 0.578690
6 1.365715 0.044850 1.194546
6 1.578312 -0.220462 -0.272296
16 -0.033999 -0.174163 -1.052429
7 0.138119 0.082034 1.605239
7 -2.054730 -0.036983 0.852021
6 -2.990560 -0.132126 -0.194102
8 -2.669437 -0.117340 -1.399466
1 2.325403 0.411964 -0.740930
7 -4.282461 -0.218283 0.221582
6 -4.704218 -0.311208 1.617440
1 -5.454582 0.461159 1.823497
1 -5.156803 -1.293110 1.807416
1 -3.851052 -0.173625 2.276787
6 -5.352812 -0.329876 -0.762960
1 -5.786789 -1.338387 -0.744779
1 -6.143164 0.391060 -0.525279
1 -4.959252 -0.125485 -1.757183
16 2.366212 3.093649 0.047885
6 1.545141 3.949861 -1.375547
1 2.108793 4.841290 -1.676373
1 1.475389 3.289390 -2.248203
1 0.529268 4.269389 -1.114821
6 2.514864 0.154532 2.142721
1 2.888810 -0.847218 2.389589
1 3.337227 0.715234 1.690550
1 2.193997 0.642635 3.065513
35 2.477428 -2.146106 -0.435055

TS2_10
ENERGY= -1714.108699
6 -0.541692 -0.296139 0.445356
6 1.680362 -0.360619 0.798026
6 1.681065 -0.990605 -0.583590
16 -0.045583 -0.938281 -1.151625
7 0.529751 -0.050821 1.301738
7 -1.748673 -0.041840 0.840516
6 -2.820793 -0.276718 -0.025961
8 -2.685790 -0.632747 -1.199888
1 2.336920 -0.458988 -1.270587
17 2.335090 -2.713825 -0.477488
16 2.602745 2.349517 -1.083549
6 1.141314 3.421380 -1.472964
1 1.386332 4.484364 -1.361200
1 0.791937 3.265114 -2.500428
1 0.304581 3.200789 -0.798730
6 2.944448 -0.236276 1.581413
1 3.209103 -1.215516 2.002392
1 3.770735 0.086456 0.943334
1 2.810358 0.470619 2.402532
6 -4.171620 -0.044217 0.599162
1 -4.287566 -0.681314 1.483799
1 -4.247144 0.994464 0.941992
1 -4.967505 -0.255597 -0.117190

TS3_2
ENERGY= -1808.747863
6 0.500128 -0.274021 -0.419472
6 -1.794689 -0.273700 -0.665600
6 -1.671072 0.480012 0.632578
16 -0.094268 0.467998 1.250359
7 -0.506552 -0.524448 -1.211837
7 1.772275 -0.460716 -0.678863
6 2.739105 -0.196118 0.261172
8 2.507308 0.129282 1.453937
6 -2.788721 0.233244 -1.702153
1 -3.768755 0.435336 -1.264327
1 -2.409846 1.164066 -2.130764
1 -2.891929 -0.514700 -2.493623
7 4.032082 -0.345778 -0.180704
6 4.390328 -0.560909 -1.576603
1 4.821424 0.352192 -2.013217
1 5.139887 -1.358939 -1.645678
1 3.507251 -0.843999 -2.145070
6 5.142901 -0.042541 0.709500
1 5.931142 -0.792940 0.578141
1 5.571381 0.946574 0.487936
1 4.799623 -0.054816 1.743013
1 -2.518007 0.639151 1.283643
17 -2.150053 2.928486 0.109002
16 -2.402106 -1.979185 0.044128
6 -4.179192 -1.760326 0.429628
1 -4.503214 -2.718610 0.847370
1 -4.347479 -0.983029 1.179407
1 -4.763483 -1.551999 -0.469039

TS3_3
ENERGY= -1848.033809
6 0.538230 -0.310248 -0.410426
6 -1.753031 -0.334303 -0.690723
6 -1.651194 0.460322 0.589348
16 -0.076335 0.464336 1.229755
7 -0.455435 -0.591467 -1.209067
7 1.815635 -0.491956 -0.655927
6 2.771991 -0.192250 0.282878
8 2.530557 0.160614 1.466097
6 -2.746338 0.160312 -1.750744
1 -3.708687 0.370016 -1.271775
1 -2.362454 1.126143 -2.092947
7 4.070932 -0.339003 -0.146503
6 4.438114 -0.572465 -1.537231
1 4.815459 0.349958 -2.003788
1 5.231762 -1.327953 -1.584658
1 3.571898 -0.922684 -2.094249
6 5.168940 0.026575 0.736230
1 5.986735 -0.693536 0.618463
1 5.557007 1.028273 0.496228
1 4.827195 0.020236 1.770261
1 -2.504023 0.606573 1.235735
17 -2.111518 2.857370 0.034580
16 -2.353981 -2.013665 0.088631
6 -4.135637 -1.786943 0.444203
1 -4.459076 -2.721544 0.912907
1 -4.317431 -0.968943 1.145939
1 -4.712573 -1.633362 -0.470443
6 -2.934176 -0.777385 -2.946133
1 -3.619553 -0.317106 -3.667350
1 -1.982268 -0.965366 -3.452388
1 -3.356135 -1.743897 -2.649681

TS3_4
ENERGY= -1887.312699
6 -0.786869 -0.349249 0.052466
6 1.523106 -0.445286 0.078780
6 1.325021 0.911166 -0.589593
16 -0.329340 1.204513 -0.940275
7 0.270496 -0.990634 0.468502
7 -2.038408 -0.695671 0.275185
6 -3.080023 0.030739 -0.241760
8 -2.958390 1.012810 -1.019829
7 -4.332807 -0.410842 0.124191
6 -4.562008 -1.419975 1.149637
1 -4.877367 -0.955360 2.096350
1 -5.358020 -2.099797 0.822176
1 -3.649714 -1.987328 1.320301
6 -5.512112 0.332562 -0.293074
1 -6.310948 -0.369424 -0.559138
1 -5.882335 0.981245 0.515732
1 -5.270177 0.950276 -1.156727
1 2.075793 1.301622 -1.257301
17 2.062600 2.771885 0.722479
16 2.009253 -1.431610 -1.522997
6 3.689758 -0.859821 -1.975767
1 3.994149 -1.487446 -2.819099
1 3.701427 0.183623 -2.301325
1 4.400678 -1.003242 -1.158685
6 2.599330 -0.574827 1.196188
1 3.437413 0.071972 0.911404
6 3.117140 -2.011588 1.381372
1 3.671465 -2.386164 0.516915
1 3.788542 -2.040896 2.247895
1 2.286324 -2.699525 1.575131
6 2.041747 -0.085071 2.548565
1 2.866539 0.006031 3.266109
1 1.553973 0.887463 2.470439
1 1.321907 -0.808346 2.945644

TS3_5
ENERGY= -1886.098937
6 0.464226 -0.328206 -0.421624
6 -1.824805 -0.379493 -0.666283
6 -1.714551 0.515339 0.541736
16 -0.130576 0.595116 1.149170
7 -0.540402 -0.682930 -1.176293
7 1.736728 -0.539624 -0.662994
6 2.707577 -0.148215 0.227139
8 2.482660 0.346078 1.361796
7 3.998541 -0.365621 -0.193529
6 4.349841 -0.788205 -1.542972
1 4.775056 0.049268 -2.115874
1 5.102231 -1.585099 -1.494853
1 3.464829 -1.157095 -2.056512
6 5.114460 0.062733 0.636589
1 5.895767 -0.706264 0.624820
1 5.551392 1.000539 0.261640
1 4.773295 0.216296 1.659260
1 -2.561346 0.720873 1.179120
17 -2.247558 2.874674 -0.197918
16 -2.409876 -1.993968 0.290024
6 -4.206825 -1.775491 0.560001
1 -4.537864 -2.686006 1.069163
1 -4.428348 -0.920186 1.203847
1 -4.741733 -1.685121 -0.387679
6 -2.857851 -0.023675 -1.713122
6 -2.445582 0.567853 -3.039229
6 -2.973270 -0.844941 -2.975007
1 -3.783959 0.357970 -1.295156
1 -1.382730 0.697512 -3.218231
1 -3.080880 1.347597 -3.451031
1 -3.972043 -1.050486 -3.352098
1 -2.258379 -1.652072 -3.109234

TS3_7
ENERGY= -1926.591817
6 -0.930686 -0.316559 0.091437
6 1.377838 -0.398765 0.106728
6 1.159881 0.898559 -0.661463
16 -0.506220 1.111160 -1.061418
7 0.138065 -0.892638 0.580832
7 -2.173785 -0.659100 0.365842
6 -3.229423 -0.014086 -0.226589
8 -3.126298 0.862621 -1.124021
7 -4.473619 -0.419665 0.204548
6 -4.681641 -1.288183 1.355686
1 -4.997768 -0.707281 2.235533
1 -5.469513 -2.016337 1.127457
1 -3.759876 -1.815209 1.591755
6 -5.664430 0.253679 -0.291658
1 -6.463002 -0.481736 -0.442726
1 -6.025211 1.008409 0.424161
1 -5.441783 0.745017 -1.237753
1 1.910952 1.259083 -1.347363
17 1.651390 2.897597 0.524744
16 1.671502 -1.535708 -1.497128
6 3.230516 -1.124739 -2.375283
1 3.122475 -1.575779 -3.367178
1 3.365956 -0.048117 -2.505770
1 4.106330 -1.554132 -1.884625
6 2.516270 -0.550432 1.182209
6 2.797451 -2.045738 1.446839
1 3.284729 -2.531055 0.595687
1 3.464385 -2.134539 2.313049
1 1.873631 -2.588972 1.669264
6 2.022768 0.064840 2.515449
1 2.834133 0.010436 3.252062
1 1.735897 1.111722 2.401252
1 1.167238 -0.492722 2.907314
6 3.833080 0.133779 0.766211
1 4.267018 -0.311901 -0.132101
1 3.703497 1.205713 0.597817
1 4.565932 0.008575 1.572551

TS3_8
ENERGY= -1566.222413
6 0.863420 -0.286570 0.197253
6 -1.374952 -0.523753 0.309506
6 -1.300385 0.502211 -0.743867
16 0.374053 0.948677 -1.035876
7 -0.216750 -0.927125 0.768193
7 2.070777 -0.590627 0.548625
6 3.153030 0.065031 -0.047663
8 3.030616 0.974775 -0.895435
6 -2.655332 -1.223991 0.759455
7 4.374532 -0.362304 0.383193
6 4.588189 -1.485915 1.290606
1 5.208151 -1.163555 2.135922
1 3.634217 -1.853718 1.659480
1 5.112841 -2.296670 0.767624
6 5.584500 0.226020 -0.177605
1 5.340969 1.161504 -0.678686
1 6.300947 0.417361 0.628746
1 6.051022 -0.458220 -0.899922
1 -2.120402 1.034775 -1.187733
16 -1.796089 2.154320 1.215945
6 -1.819960 3.597539 0.079399
1 -1.976593 4.505845 0.671941
1 -0.870571 3.696960 -0.458168
1 -2.635677 3.523412 -0.648460
6 -2.761501 -1.162225 2.301318
1 -3.645174 -1.724602 2.625969
1 -1.878973 -1.604148 2.774297
1 -2.864476 -0.129646 2.650472
6 -2.548139 -2.710210 0.327848
1 -3.455986 -3.240944 0.639320
1 -2.448168 -2.791701 -0.758320
1 -1.685762 -3.193568 0.797633
6 -3.915161 -0.609541 0.123779
1 -4.798362 -1.156849 0.473322
1 -4.032174 0.441523 0.406323
1 -3.881329 -0.681361 -0.967867
9 -1.542939 -0.800504 -2.159221

TS3_9
ENERGY= -1361.710430
6 0.728719 -0.305923 -0.105772
6 -1.577405 -0.357467 -0.033165
6 -1.317884 0.870405 0.791776
16 0.319001 1.116514 1.121442
7 -0.360954 -0.854453 -0.572076
7 1.964039 -0.630005 -0.402818
6 3.032609 0.023199 0.165025
8 2.937662 0.928272 1.033957
7 4.264774 -0.395786 -0.275184
6 4.465337 -1.406113 -1.304856
1 4.953448 -0.963678 -2.184794
1 5.112837 -2.206778 -0.922894
1 3.507348 -1.827956 -1.600308
6 5.479236 0.217828 0.239618
1 6.148380 -0.552810 0.644694
1 6.014494 0.746638 -0.561741
1 5.224664 0.925058 1.027319
1 -2.085323 1.342514 1.387329
16 -2.035224 -1.564780 1.424096
6 -3.759895 -1.165099 1.891741
1 -3.997912 -1.843920 2.716745
1 -3.865368 -0.137777 2.249556
1 -4.453165 -1.353382 1.069372
6 -2.709545 -0.323366 -1.051598
1 -3.630453 0.082106 -0.627020
35 -2.058312 3.085456 -0.761927
1 -2.892280 -1.337820 -1.418426
1 -2.412590 0.316296 -1.886076

TS3_10
ENERGY= -1714.118119
6 0.701100 -0.334754 -0.048519
6 -1.603569 -0.302816 -0.033075
6 -1.316437 0.793644 0.951309
16 0.320900 0.923585 1.342850
7 -0.384778 -0.785927 -0.597403
7 1.944132 -0.657294 -0.379305
6 3.010150 -0.154421 0.301092
8 2.946958 0.583086 1.310511
1 -2.079946 1.217428 1.586910
16 -2.150173 -1.663699 1.223374
6 -3.872729 -1.246513 1.680035
1 -4.171029 -2.022230 2.392056
1 -3.948268 -0.275641 2.175711
1 -4.538258 -1.286411 0.815646
6 -2.683856 -0.069497 -1.080517
1 -3.599629 0.328395 -0.638767
1 -2.901550 -1.014463 -1.586471
1 -2.315696 0.657041 -1.808626
17 -1.867139 3.068657 -0.264599
6 4.363944 -0.535602 -0.265868
1 4.721006 0.276737 -0.912989
1 5.090458 -0.658426 0.542893
1 4.309818 -1.447964 -0.865087

TS4_2
ENERGY= -2247.395057
6 1.137921 -0.143505 0.347921
6 -0.937671 0.649100 0.737758
6 -0.635053 1.306775 -0.544172
16 0.798052 0.590491 -1.251754
7 0.223735 -0.003304 1.243993
7 2.308066 -0.824790 0.604475
6 3.316076 -1.084178 -0.327980
8 3.178378 -0.721199 -1.506987
7 4.407317 -1.734357 0.152707
6 4.551357 -2.140955 1.552341
1 3.855709 -2.946751 1.819803
1 5.566607 -2.513508 1.694669
1 4.414174 -1.293021 2.231827
6 5.464123 -2.138625 -0.773722
1 6.421722 -1.709216 -0.459243
1 5.553919 -3.231213 -0.791305
1 5.220349 -1.781174 -1.772614
6 -1.730009 1.409787 1.783610
1 -2.630364 1.848979 1.346464
1 -2.023507 0.744689 2.600285
1 -1.115050 2.216710 2.197541
16 -2.285263 -0.866795 -0.001013
6 -2.303539 -1.809727 1.581255
1 -3.106081 -1.464715 2.238241
1 -2.465911 -2.858575 1.332626
1 -1.337430 -1.695381 2.077273
1 2.361206 -1.206317 1.541211
1 -1.428944 1.585077 -1.224813
16 -4.246896 -2.647264 -1.070556
6 -5.689812 -1.990228 -0.125117
1 -5.773157 -0.903767 -0.243485
1 -6.620991 -2.442767 -0.485274
1 -5.597069 -2.210880 0.944431
17 -0.137415 3.494797 -0.185059

TS4_9
ENERGY= -1800.353907
6 1.119894 -0.100068 0.345458
6 -0.945928 0.739552 0.694935
6 -0.593424 1.387267 -0.581032
16 0.843555 0.668673 -1.250180
7 0.184816 0.048348 1.219022
7 2.266489 -0.809075 0.623678
6 3.296889 -1.070833 -0.285516
8 3.201858 -0.675536 -1.458301
7 4.355821 -1.759882 0.211260
6 4.447463 -2.201820 1.605104
1 3.717143 -2.988182 1.835037
1 5.444736 -2.613578 1.765578
1 4.321433 -1.364706 2.300223
6 5.436417 -2.157800 -0.690597
1 6.389128 -1.748005 -0.337257
1 5.512379 -3.250798 -0.728702
1 5.228572 -1.776172 -1.688737
6 -1.731132 1.518317 1.734182
1 -2.587873 2.019089 1.277375
1 -2.090779 0.848037 2.519960
1 -1.084095 2.276016 2.189129
16 -2.315444 -0.688935 -0.073027
6 -2.123556 -1.874487 1.318606
1 -2.447463 -1.431836 2.264285
1 -2.766490 -2.720381 1.071603
1 -1.087585 -2.206895 1.401024
1 2.286521 -1.206960 1.554957
1 -1.350378 1.734205 -1.271152
16 -4.447528 -2.425268 -1.235113
6 -5.733385 -2.161975 0.064564
1 -6.060190 -1.116050 0.094078
1 -6.613725 -2.785089 -0.132618
1 -5.351060 -2.426572 1.057985
35 -0.008528 3.805592 -0.150474

Br_anion
ENERGY= -13.363611

Cl_anion
ENERGY= -460.399711

MeS_anion
ENERGY= -438.220440
6 0.000000 0.000000 -1.148194
1 0.000000 1.022004 -1.545421
1 0.885082 -0.511002 -1.545421
1 -0.885082 -0.511002 -1.545421
16 0.000000 0.000000 0.709775