25
1S3_1-2 local_minima zpe= -849.352162
O 3.042644 0.139423 -0.035744
O 1.975921 1.754394 1.755062
O -0.955548 2.484437 1.371328
O -1.021396 1.110037 -1.145638
O 1.053405 -0.920592 0.225655
O -0.445443 -1.246289 -2.338399
C 1.639944 0.291041 -0.201970
C 1.130038 1.498575 0.607440
C -0.318305 1.254637 1.089018
C -1.059604 0.383473 0.078661
C -0.384140 -1.006836 0.066131
C -0.757655 -1.907160 -1.104694
H 3.347621 -0.498693 -0.692519
H 1.552536 2.460626 2.261093
H -1.247988 2.879945 0.539069
H -1.115304 0.499287 -1.892385
H -0.619943 -1.836898 -3.078934
H 1.414997 0.465392 -1.256531
H 1.155446 2.377548 -0.039987
H -0.268255 0.720699 2.042424
H -2.097875 0.247129 0.405383
H -0.726454 -1.523023 0.968904
H -0.199442 -2.844121 -1.016468
H -1.830266 -2.130969 -1.044461
Na 3.895066 0.677942 1.967562
25
1S3_1-2 transition_state zpe= -849.301783
O 1.560110 -1.726755 0.008302
O 2.454247 0.790889 -0.361311
O 0.497024 2.686022 0.503354
O -1.621214 1.329921 -0.854074
O -0.544158 -1.380731 -0.087722
O -3.398740 -0.671773 -0.610892
C 0.796507 -0.892454 -0.741049
C 1.037589 0.617456 -0.579933
C 0.253668 1.290308 0.555723
C -1.229179 0.936853 0.447772
C -1.422599 -0.551747 0.759441
C -2.847178 -1.073035 0.639155
H 0.310300 -2.000891 0.403209
H 2.607777 1.744508 -0.304679
H -0.073500 3.071447 -0.176304
H -2.487010 0.941106 -1.055880
H -4.268843 -1.064683 -0.735785
H 0.667385 -1.185457 -1.786111
H 0.760967 1.105022 -1.516185
H 0.644871 0.956405 1.521410
H -1.784564 1.493989 1.215413
H -1.101069 -0.716621 1.793006
H -2.836485 -2.163766 0.735706
H -3.424129 -0.657188 1.475332
Na 3.624844 -1.064432 0.287542
25
2SO_1-2 local_minima zpe= -849.349921 
O 2.954616 -0.117638 0.208276
O  2.053897 2.186133 -0.696845
O  -0.302201 2.825021 0.506531
O  -2.044396 0.902008 -0.263230
O  0.914980 -1.044181 0.450877
O  -0.883929 -0.961538 -1.911284
C  1.668883 -0.229294 -0.417085
C  1.041570 1.167751 -0.575297
C  0.139167 1.482594 0.615269
C  -1.042118 0.493860 0.660340
C  -0.530204 -0.974022 0.467184
C  -1.141540 -1.716601 -0.712941
H  3.131549 -0.973780 0.621305
H  1.566296 3.023481 -0.629447
H  -1.179357 2.806220 0.090715
H  -1.830047 0.557617 -1.144569
H  -1.197920 -1.449611 -2.680613
H  1.794715 -0.723066 -1.385105
H  0.451261 1.165993 -1.494889
H  0.719315 1.405344 1.539105
H  -1.517771 0.578183 1.638393
H  -0.780428 -1.550272 1.358663
H  -0.686260 -2.708578 -0.777837
H  -2.218600 -1.826477 -0.550109
Na  4.138521 1.760854 -0.057407
25
2SO_1-2 transition_state zpe=-849.299019
O -1.726300 -1.515206 -0.463002
O -2.085083 0.809213 0.923823
O -0.381558 2.567184 -0.310972
O 2.108416 1.561708 0.139852
O 0.385772 -1.469581 -0.579701
O 2.379557 -0.857801 1.322967
C -0.765351 -1.101832 0.395911
C -0.726961 0.405519 0.666756
C -0.184727 1.183505 -0.536446
C 1.300776 0.876806 -0.806128
C 1.575201 -0.657056 -0.905476
C 2.714840 -1.162557 -0.037793
H -0.575581 -1.671069 -1.182419
H -2.066608 1.776302 0.990521
H 0.428180 2.914070 0.095832
H 2.232500 1.008710 0.928044
H 3.017716 -1.261906 1.921303
H -0.608884 -1.722265 1.281690
H -0.121886 0.609315 1.555283
H -0.777020 0.921326 -1.419209
H 1.558205 1.327985 -1.766628
H 1.784000 -0.926716 -1.941076
H 2.822122 -2.240795 -0.180026
H 3.641910 -0.662878 -0.337761
Na -3.660341 -0.554775 -0.079112
25
3S1_1-2 local_minima zpe= -849.343236
O 0.281382 -0.945608 2.354860
O  0.576102 1.636675 2.271198
O  0.658670 1.583697 -1.332516
O  -2.098147 0.590639 -1.212152
O  0.825687 -1.230259 0.095018
O  0.094347 -0.764033 -2.674491
C  1.118781 -0.516118 1.244723
C  0.956155 1.005297 1.019859
C  -0.030558 1.348991 -0.127139
C  -1.133107 0.286116 -0.233303
C  -0.541302 -1.150075 -0.392739
C  -0.546342 -1.705057 -1.804113
H  0.399954 -1.901363 2.433490
H  0.788776 2.575017 2.206257
H  0.756600 0.760973 -1.843776
H  -1.645348 0.807563 -2.038744
H  0.308733 -1.171206 -3.519981
H  2.153105 -0.763712 1.487381
H  1.931393 1.389404 0.714722
H  -0.513017 2.297014 0.132610
H  -1.682928 0.307136 0.713343
H  -1.149121 -1.839338 0.203177
H  -0.012203 -2.659442 -1.804243
H  -1.582209 -1.868338 -2.113020
Na  -0.515404 0.506027 3.859575
25
3S1_1-2 transition_state zpe= -849.294398
O 1.911404 -1.262158 0.415325
O 2.036459 1.149604 -0.808085
O -1.116099 2.100009 -0.383036
O -2.055474 0.851087 1.808853
O -0.132740 -1.752934 0.062148
O -2.064766 -0.230425 -1.576333
C 1.031212 -0.955308 -0.574621
C 0.721724 0.535665 -0.777899
C -0.202973 1.223666 0.259433
C -0.935021 0.246030 1.214000
C -1.349730 -1.092472 0.572841
C -2.433382 -1.089505 -0.486541
H 0.772845 -1.893503 0.777921
H 1.975430 1.986677 -1.283449
H -1.636818 1.568881 -1.010355
H -2.265361 1.652342 1.305176
H -2.665502 -0.375122 -2.315724
H 1.205431 -1.462414 -1.528437
H 0.261164 0.647944 -1.759376
H 0.414388 1.873064 0.883359
H -0.228499 -0.012535 2.011921
H -1.694208 -1.756587 1.367835
H -2.576099 -2.112965 -0.843277
H -3.357429 -0.742823 -0.013757
Na 3.652128 0.052465 0.455810
25
4C1_1-2 local_minima zpe= -849.360157
O 1.012156 -1.167164 -1.990399
O  -1.118340 -2.303968 -0.777897
O  -2.606744 -0.081841 0.131114
O  -0.661098 1.070754 1.669572
O  1.577183 0.068306 -0.071387
O  1.779345 2.327977 1.791976
C  0.967946 -1.088053 -0.536003
C  -0.495258 -1.190509 -0.101184
C  -1.290302 0.090907 -0.364296
C  -0.559741 1.274204 0.270172
C  0.878819 1.325963 -0.269151
C  1.744401 2.409768 0.368140
H  1.911376 -0.937054 -2.259605
H  -2.019528 -2.359337 -0.428081
H  -2.607225 0.178238 1.064285
H  0.003950 1.619925 2.116544
H  2.450176 1.691108 2.060929
H  1.556887 -1.914547 -0.131805
H  -0.490891 -1.383198 0.973943
H  -1.383049 0.255201 -1.442291
H  -1.059811 2.208016 -0.023646
H  0.824602 1.536586 -1.345561
H  2.752806 2.366847 -0.053234
H  1.317236 3.385045 0.124228
Na  -0.420339 -2.698835 -2.864317
25
4C1_1-2 transition_state zpe=-849.301037
O -1.538743 -1.730228 -0.025401
O -2.457169 0.776531 0.390340
O -0.519132 2.689935 -0.478442
O 1.635095 1.342449 0.832073
O 0.566742 -1.373803 0.102708
O 3.467017 -0.682997 0.579735
C -0.791337 -0.898179 0.740378
C -1.037469 0.611221 0.593353
C -0.269010 1.296351 -0.545010
C 1.215953 0.948458 -0.462067
C 1.416555 -0.537795 -0.772597
C 2.855175 -1.035246 -0.656665
H -0.279941 -2.003851 -0.391964
H -2.619257 1.729540 0.347405
H 0.064970 3.075938 0.189271
H 2.512814 0.966914 1.008427
H 3.385784 -1.405405 1.210747
H -0.672955 -1.201273 1.784309
H -0.754045 1.092892 1.530868
H -0.669609 0.967237 -1.508491
H 1.754107 1.507970 -1.240124
H 1.078724 -0.714753 -1.799517
H 2.887133 -2.115148 -0.825663
H 3.438097 -0.557450 -1.449505
Na -3.608683 -1.075143 -0.313475
25
5S1_1-2 local_minima zpe= -849.348645
O -0.147424 -0.557482 2.529713
O  1.248461 1.614943 1.734079
O  -0.158337 1.873179 -1.183359
O  -2.336585 0.253972 -1.292468
O  0.261387 -1.682371 0.506683
O  0.924863 -0.478355 -2.127044
C  0.719860 -0.696998 1.356562
C  0.833360 0.679750 0.705143
C  -0.454779 1.145317 -0.004258
C  -1.419946 -0.038390 -0.265151
C  -0.699399 -1.373018 -0.548768
C  -0.040294 -1.524889 -1.909302
H  -0.430543 -1.448634 2.774365
H  1.653266 2.379928 1.308360
H  0.332800 1.273394 -1.774994
H  -2.008006 1.024251 -1.779146
H  1.451654 -0.686776 -2.905940
H  1.696265 -1.034012 1.713284
H  1.627163 0.594734 -0.038125
H  -0.974542 1.857534 0.641023
H  -1.990038 -0.191832 0.656487
H  -1.446922 -2.167869 -0.491184
H  0.454532 -2.499025 -1.943648
H  -0.822262 -1.488852 -2.673185
Na  0.305466 1.281500 3.750874
25
5S1_1-2 transition_state zpe= -849.294399
O 1.911528 -1.262392 0.414697
O 2.036772 1.149702 -0.807513
O -1.116143 2.099773 -0.383619
O -2.055511 0.851393 1.808730
O -0.132795 -1.752878 0.062296
O -2.064979 -0.230673 -1.576116
C 1.031157 -0.955209 -0.574965
C 0.721957 0.535871 -0.777883
C -0.203023 1.223732 0.259283
C -0.935081 0.246195 1.213995
C -1.349757 -1.092458 0.573063
C -2.433563 -1.089561 -0.486178
H 0.772897 -1.893423 0.777717
H 1.975964 1.986779 -1.282896
H -1.636682 1.568373 -1.010836
H -2.265541 1.652357 1.304638
H -2.666039 -0.375117 -2.315294
H 1.204940 -1.462309 -1.528855
H 0.261730 0.648558 -1.759468
H 0.414100 1.873409 0.883153
H -0.228612 -0.012250 2.012005
H -1.694045 -1.756519 1.368181
H -2.576397 -2.113058 -0.842767
H -3.357521 -0.742711 -0.013348
Na 3.652190 0.052282 0.456007