25
1C4_1-3-6 local_minima zpe= -849.356627 
O 2.449191 -0.194540 0.318625
O -0.248505 0.493561 2.610185
O 0.606344 2.025109 -0.602179
O -2.346673 0.242324 0.634774
O 0.450519 -1.416249 0.530820
O 0.776831 -0.502075 -2.491854
C 1.292559 -0.490542 1.135939
C 0.611743 0.830747 1.519288
C -0.250948 1.421069 0.395065
C -1.203542 0.355900 -0.195758
C -0.561895 -1.037586 -0.432138
C -0.170380 -1.402055 -1.860032
H 3.050969 -0.944495 0.395709
H -0.310084 1.231789 3.225969
H 0.138210 2.774106 -0.986106
H -2.056056 0.043148 1.536545
H 0.791979 -0.725976 -3.429100
H 1.636285 -0.973246 2.051198
H 1.383828 1.543694 1.818921
H -0.880449 2.200823 0.829409
H -1.577104 0.724591 -1.154289
H -1.371089 -1.741865 -0.220258
H 0.249315 -2.411505 -1.846121
H -1.089654 -1.410855 -2.453643
Na 2.288606 0.934128 -1.620969
25
1C4_1-3-6 _transition_state zpe= -849.297711
O 0.829819 -1.705198 -1.028126
O -2.643372 -0.699772 -0.407265
O 0.229945 -0.781385 1.794641
O -1.996177 1.860535 0.579770
O 0.104104 0.247397 -1.563432
O 2.336272 0.935383 0.109772
C -0.415106 -1.218314 -1.184457
C -1.369311 -1.190559 0.002615
C -0.941124 -0.251300 1.139047
C -0.745052 1.205516 0.661176
C 0.055574 1.407384 -0.663794
C 1.478084 1.921596 -0.513589
H 1.029762 -0.472339 -1.455576
H -3.137699 -1.366833 -0.895978
H 0.144306 -0.614148 2.739241
H -2.614077 1.306982 0.080565
H 3.220824 1.317546 0.151588
H -0.927387 -1.510981 -2.107460
H -1.431267 -2.214177 0.389585
H -1.767065 -0.228589 1.852074
H -0.198103 1.732143 1.447251
H -0.490602 2.176984 -1.212234
H 1.874397 2.168394 -1.502627
H 1.450204 2.831912 0.092554
Na 2.143964 -1.384410 0.717468
25
2SO_1-2 local_minima zpe= -849.352803 
O 1.935446 -0.752315 -1.817759
O  2.056932 2.058788 -0.988562
O  -0.080930 2.852809 0.554077
O  -1.477867 0.719308 2.024792
O  0.921939 -1.116492 0.290802
O  -0.862844 -1.059819 -1.925470
C  1.648036 -0.238987 -0.505419
C  1.003838 1.141098 -0.637140
C  0.285022 1.486707 0.647911
C  -0.921277 0.545965 0.727377
C  -0.504043 -0.937934 0.462758
C  -1.255908 -1.636246 -0.663988
H  1.078002 -1.047018 -2.182649
H  1.771733 2.945422 -0.721438
H  -0.491705 3.130111 1.381855
H  -2.427707 0.564265 2.010735
H  -1.439578 -1.393488 -2.621326
H  2.625730 -0.137231 -0.024967
H  0.270926 1.131184 -1.450892
H  0.930537 1.319107 1.519387
H  -1.635602 0.870386 -0.037720
H  -0.715811 -1.484683 1.383211
H  -1.010318 -2.701938 -0.649630
H  -2.334260 -1.518219 -0.511548
Na  3.279707 0.959220 -2.584398
25
2SO_1-2 transition_state zpe= -849.298003
O -1.703377 -1.678407 -0.247962
O -2.313049 1.179239 0.085825
O -0.032995 2.703968 0.513285
O 2.521842 1.631410 -0.314486
O 0.292960 -1.262926 -0.790304
O 2.071837 -1.783382 1.313842
C -1.061742 -0.610865 -0.782872
C -1.003801 0.596590 0.138534
C 0.133087 1.522925 -0.248948
C 1.445315 0.795686 0.091670
C 1.588420 -0.554762 -0.653896
C 2.550295 -1.526365 0.000527
H -0.349002 -2.010888 -0.171161
H -2.242248 2.104319 0.363675
H 0.636998 3.348047 0.253315
H 3.181055 1.691646 0.383731
H 2.630240 -2.439046 1.743967
H -1.322813 -0.348449 -1.815430
H -0.821453 0.234389 1.158484
H 0.107038 1.755007 -1.323153
H 1.468572 0.626664 1.171205
H 1.912578 -0.348576 -1.675718
H 2.602023 -2.442371 -0.598331
H 3.545140 -1.064712 0.005795
Na -3.632301 -0.796772 0.431994
25
2SO_1-2 local_minima zpe= -849.348117 
O 2.558825 -0.735511 -0.223272
O  1.793538 1.290601 1.749768
O  -0.908370 2.141413 1.551789
O  -2.682737 0.165284 0.057267
O  0.312187 -1.461984 -0.049457
O  0.912057 0.122498 -2.345121
C  1.321041 -0.688585 0.507627
C  0.922026 0.773090 0.724849
C  -0.554250 0.848432 1.067360
C  -1.320178 0.440791 -0.199277
C  -0.724583 -0.845169 -0.845475
C  -0.270985 -0.703361 -2.291799
H  2.330548 -0.524150 -1.149940
H  1.315023 1.980018 2.233353
H  -0.913946 2.778323 0.824977
H  -3.098150 0.928461 0.476909
H  1.114152 0.325135 -3.265111
H  1.550818 -1.145387 1.475112
H  1.102427 1.338705 -0.196674
H  -0.801351 0.162422 1.881577
H  -1.229637 1.272026 -0.917670
H  -1.531005 -1.579486 -0.832038
H  -0.046352 -1.696290 -2.691002
H  -1.077625 -0.254843 -2.880036
Na  3.876527 0.467567 1.236286
25
2SO_1-2 transition_state zpe= -849.292906
O -1.728125 -1.636349 -0.283942
O -2.276666 1.210299 0.124986
O 0.107388 2.764771 0.490138
O 2.615575 1.487477 -0.440750
O 0.280201 -1.259248 -0.800321
O 1.924237 -1.814875 1.360736
C -1.053391 -0.575190 -0.791015
C -0.973026 0.610803 0.157527
C 0.175013 1.532175 -0.221244
C 1.493204 0.784165 0.052198
C 1.592402 -0.595422 -0.642498
C 2.497615 -1.572348 0.081140
H -0.385126 -2.005446 -0.200612
H -2.191630 2.159550 0.294201
H 0.281868 2.615377 1.429311
H 2.646171 2.368672 -0.049324
H 2.485686 -2.416653 1.860020
H -1.301257 -0.281298 -1.818563
H -0.795257 0.213639 1.166791
H 0.118975 1.817757 -1.275992
H 1.572747 0.633436 1.138493
H 1.959544 -0.431530 -1.656878
H 2.577883 -2.495327 -0.503754
H 3.489495 -1.112559 0.151349
Na -3.657353 -0.744301 0.367413
25
2SO_1-2 local_minina zpe= -849.351185 
O 1.697836 -1.122550 -1.785523
O 1.653244 1.804028 -1.593270
O -0.425066 2.769209 -0.053491
O -1.666493 0.878417 1.901194
O 0.908887 -1.075954 0.447268
O -1.049565 -1.624700 -1.553337
C 1.485477 -0.351853 -0.592180
C 0.715664 0.921001 -0.946398
C 0.073870 1.491801 0.298914
C -1.035087 0.501553 0.688515
C -0.510817 -0.969482 0.708862
C -1.290736 -1.941903 -0.167772
H 0.837937 -1.540962 -1.991006
H 1.308203 2.705936 -1.517760
H -0.948043 3.128251 0.674098
H -1.061714 0.759929 2.644291
H -1.673430 -2.109708 -2.104379
H 2.489014 -0.085294 -0.247979
H -0.080952 0.684174 -1.659356
H 0.810014 1.577524 1.111623
H -1.820898 0.596946 -0.064753
H -0.604837 -1.335050 1.733713
H -0.956385 -2.961800 0.042525
H -2.356691 -1.857104 0.065428
Na 2.810568 0.457590 -3.049227
25
2SO_1-2 transition_state zpe= -849.294856
O -1.721889 -1.624391 -0.322841
O -2.265966 1.225428 0.110465
O 0.044835 2.696509 0.557071
O 2.630186 1.561714 -0.196376
O 0.288163 -1.246040 -0.848055
O 1.836777 -1.863472 1.339255
C -1.055043 -0.558251 -0.824392
C -0.966076 0.619235 0.131530
C 0.184743 1.535856 -0.238284
C 1.484174 0.773590 0.079621
C 1.600322 -0.593915 -0.641039
C 2.475364 -1.588591 0.100031
H -0.379903 -1.993049 -0.251265
H -2.182069 2.135174 0.431383
H 0.846080 3.232615 0.499344
H 2.713688 1.718739 -1.145888
H 2.390132 -2.444809 1.870796
H -1.304720 -0.262402 -1.850679
H -0.777370 0.224480 1.137853
H 0.145322 1.799606 -1.307792
H 1.511398 0.609296 1.158301
H 1.996510 -0.441109 -1.648946
H 2.589527 -2.496522 -0.502841
H 3.460479 -1.127582 0.234533
Na -3.622439 -0.734544 0.419477
25
3S1_1-2 local_minima zpe= -849.347229 
O 2.716971 -0.527935 -1.566243
O  1.782621 2.217246 -1.384468
O  -1.466846 0.812099 -1.747595
O  0.279384 1.400620 1.378350
O  0.792530 -1.165790 -0.475960
O  -2.033387 -1.655078 -0.693706
C  1.670798 -0.099033 -0.693965
C  0.937120 1.041391 -1.397036
C  -0.497486 1.250563 -0.834794
C  -0.603376 0.608590 0.562627
C  -0.150062 -0.882882 0.584859
C  -1.264585 -1.909475 0.480067
H  3.008409 -1.409127 -1.296627
H  1.644709 2.700256 -0.559152
H  -1.715129 -0.111849 -1.565408
H  -0.050373 1.454134 2.280817
H  -2.734946 -2.306494 -0.793410
H  2.106751 0.238468 0.255379
H  0.809607 0.774353 -2.448427
H  -0.647970 2.325912 -0.704391
H  -1.634094 0.688064 0.915973
H  0.353717 -1.048599 1.546255
H  -0.816912 -2.907462 0.441316
H  -1.888021 -1.838206 1.379392
Na  3.570569 1.390235 -2.523855
25
3S1_1-2 transition_state zpe= -849.291486
O 1.858939 -1.440850 0.298860
O 1.921040 1.402382 -0.208242
O -0.994590 2.131605 -1.006003
O -1.539743 0.517716 2.191636
O -0.221482 -1.451548 0.685875
O -1.462175 -0.559800 -2.000037
C 0.976452 -0.524112 0.772824
C 0.707865 0.620819 -0.189995
C -0.558063 1.419131 0.135296
C -1.658086 0.509933 0.772160
C -1.598973 -0.979954 0.395057
C -2.078125 -1.365308 -0.991796
H 0.605003 -2.054278 0.160210
H 1.743647 2.246989 -0.642246
H -1.260189 1.481640 -1.674545
H -1.844196 1.362589 2.541289
H -1.744258 -0.865493 -2.869562
H 1.088847 -0.228408 1.819878
H 0.570966 0.167000 -1.175734
H -0.323683 2.179360 0.884872
H -2.632722 0.895115 0.451744
H -2.217010 -1.517568 1.115361
H -1.868627 -2.427056 -1.160114
H -3.166130 -1.229641 -1.000372
Na 3.618730 -0.262667 -0.318979
25
4C1_1-2 local_minima zpe= -849.360714 
O 2.363756 -1.947564 -0.070611
O  2.178251 -1.273786 2.622643
O  1.274966 1.278195 3.222851
O  -0.668491 2.374607 1.402572
O  1.151353 -0.104002 -0.666462
H  0.430227 -1.589428 0.567506
C  1.357019 -1.034457 0.357050
C  1.856412 -0.311027 1.599032
C  0.774711 0.650567 2.055137
C  0.434979 1.630799 0.929356
C  0.110178 0.856826 -0.371089
H  2.229634 -2.125402 -1.011517
H  -0.845883 0.333891 -0.238644
H  2.761983 0.245879 1.334205
H  2.117187 -0.814406 3.473905
H  -0.138449 0.086854 2.296658
H  0.623258 1.918844 3.535544
H  1.303926 2.281065 0.751241
H  -0.974792 2.951461 0.686772
C  0.042774 1.757542 -1.602079
H  -0.273487 1.167692 -2.468102
H  1.040532 2.167107 -1.798511
O  -0.892851 2.794476 -1.309649
H  -0.992917 3.375043 -2.070610
Na  3.355942 -2.959064 1.721011
25
4C1_1-2 transition_state zpe=-849.295945
O 1.861283 -1.750221 0.012615
O 2.437283 1.130362 0.035223
O 0.155017 2.669161 -0.328527
O -2.374304 1.541523 0.320234
O -0.173098 -1.424351 0.491157
H 1.374860 -0.622756 1.702818
C 1.179071 -0.760594 0.632442
C 1.139360 0.547016 -0.141617
C -0.021544 1.415890 0.301844
C -1.320996 0.725212 -0.143265
C -1.466289 -0.701998 0.439001
H 0.501848 -2.097142 -0.155067
H -1.789066 -0.620749 1.478473
H 1.005630 0.307369 -1.204684
H 2.365119 2.082136 -0.129966
H -0.032497 1.535141 1.394716
H -0.597580 3.237474 -0.119168
H -1.319189 0.678056 -1.241247
H -3.211854 1.173102 0.004159
C -2.429293 -1.584633 -0.351176
H -2.578197 -2.533908 0.173185
H -2.008955 -1.787628 -1.345189
O -3.638437 -0.842118 -0.449985
H -4.334575 -1.383431 -0.836430
Na 3.818242 -0.764352 -0.435520
25
4C1_1-2 local_minima zpe= -849.359054 
O 2.117358 -1.858061 -0.054367
O  -0.500263 -2.762729 -0.367924
O  -2.524852 -1.000839 0.349517
O  -1.970813 1.811684 -0.041483
O  1.396316 0.295103 0.189098
O  0.658409 2.622791 1.881639
C  1.085986 -0.933707 -0.395882
C  -0.230787 -1.450925 0.166515
C  -1.327989 -0.460330 -0.182269
C  -0.962631 0.909664 0.391660
C  0.432202 1.334080 -0.122453
C  0.926386 2.635852 0.484522
H  2.950676 -1.369915 -0.006249
H  -1.456403 -2.905855 -0.303980
H  -3.251289 -0.393781 0.159873
H  -2.079316 2.509299 0.613858
H  1.090493 3.373842 2.299887
H  1.035574 -0.842027 -1.492388
H  -0.136315 -1.520231 1.255823
H  -1.412510 -0.370520 -1.275795
H  -0.934128 0.849368 1.482468
H  0.389423 1.459402 -1.213049
H  1.997666 2.729806 0.276944
H  0.405801 3.464416 -0.010417
Na  1.371679 -4.004146 -0.230569
25
4C1_1-2 transition_state zpe=-849.298006
O -1.703704 -1.678630 -0.247823
O -2.313399 1.179112 0.085772
O -0.033279 2.703860 0.513056
O 2.521460 1.631748 -0.314457
O 0.292910 -1.262960 -0.789727
O 2.073729 -1.782962 1.313724
C -1.062045 -0.611212 -0.782662
C -1.004172 0.596407 0.138628
C 0.132799 1.522682 -0.248957
C 1.445149 0.795688 0.091708
C 1.588330 -0.554574 -0.653922
C 2.550976 -1.525748 -0.000002
H -0.348949 -2.011307 -0.171134
H -2.242438 2.104236 0.363438
H 0.636852 3.347799 0.253083
H 3.180630 1.692250 0.383778
H 2.632292 -2.439038 1.743013
H -1.322931 -0.348866 -1.815291
H -0.821845 0.234324 1.158619
H 0.106733 1.754563 -1.323207
H 1.468550 0.626646 1.171234
H 1.911992 -0.348360 -1.675909
H 2.602746 -2.441747 -0.598863
H 3.545589 -1.063581 0.004512
Na -3.632470 -0.797067 0.432146
25
5S1_1-2 local_minima zpe= -849.349895 
O 2.287823 -0.732951 1.900628
O  1.772599 1.923053 1.414465
O  -0.210417 2.150318 -1.010380
O  -1.943243 -0.014173 1.330856
O  0.572221 -1.403186 0.572751
O  0.498619 -0.304641 -2.207732
C  0.985783 -0.371242 1.426131
C  1.096905 0.915135 0.622555
C  -0.297685 1.374154 0.164712
C  -1.285082 0.171790 0.075307
C  -0.616439 -1.176616 -0.233388
C  -0.279864 -1.398945 -1.699648
H  2.299478 -1.693866 2.006418
H  1.615567 2.783722 1.004882
H  0.054742 1.553911 -1.730027
H  -2.622331 0.659783 1.445142
H  0.811022 -0.518631 -3.093224
H  0.309462 -0.271688 2.282361
H  1.703948 0.690046 -0.258625
H  -0.703464 2.040942 0.930911
H  -2.009445 0.390746 -0.715891
H  -1.331070 -1.953213 0.052108
H  0.277793 -2.335393 -1.788260
H  -1.217464 -1.492338 -2.259800
Na  3.470541 1.043283 2.597750
25
5S1_1-2 transition_state zpe= -849.291488
O 1.859017 -1.440662 0.299559
O 1.920950 1.402855 -0.207008
O -0.994073 2.131635 -1.006569
O -1.541376 0.518173 2.190829
O -0.221569 -1.451500 0.687151
O -1.461634 -0.559898 -2.000266
C 0.976536 -0.523797 0.773514
C 0.707917 0.620996 -0.189387
C -0.558308 1.419170 0.135026
C -1.658560 0.509867 0.771267
C -1.598840 -0.980209 0.394796
C -2.076598 -1.366475 -0.992271
H 0.604880 -2.054077 0.161241
H 1.743396 2.247180 -0.641511
H -1.260402 1.481753 -1.674874
H -1.846232 1.363128 2.539936
H -1.744641 -0.864651 -2.869824
H 1.089176 -0.227893 1.820473
H 0.571694 0.167137 -1.175216
H -0.324461 2.179488 0.884676
H -2.633072 0.894641 0.449947
H -2.217421 -1.517482 1.114880
H -1.864819 -2.427806 -1.160425
H -3.164860 -1.233028 -1.001473
Na 3.618487 -0.262775 -0.319552
25
5S1_1-2 local_minima zpe= -849.349602 
O 3.007026 0.073700 0.665032
O  1.883767 2.270581 -0.544233
O  -0.969703 1.516555 -1.593664
O  -1.081139 0.794394 1.883206
O  1.019288 -1.026227 0.729140
O  -0.428411 -1.244228 -1.886243
C  1.589868 0.255978 0.768701
C  1.110807 1.050745 -0.435318
C  -0.396386 1.330470 -0.318780
C  -1.100518 0.259676 0.557213
C  -0.416816 -1.121945 0.540625
C  -0.718396 -1.973340 -0.685722
H  3.230606 -0.740121 1.136276
H  1.399105 2.886205 -1.109263
H  -0.941768 0.660960 -2.051705
H  -1.690467 0.304999 2.446873
H  -0.496188 -1.835178 -2.643692
H  1.363448 0.758527 1.715151
H  1.294255 0.434707 -1.319824
H  -0.536382 2.271618 0.217821
H  -2.127771 0.156127 0.192969
H  -0.793294 -1.687669 1.400385
H  -0.110823 -2.881321 -0.635213
H  -1.777440 -2.256402 -0.657526
Na  4.047334 1.931190 -0.062209
25
5S1_1-2 transition_state zpe= -849.290693
O 1.846286 -1.453978 0.292807
O 1.926286 1.390616 -0.210103
O -0.991093 2.131258 -1.002137
O -1.440528 0.643212 2.189332
O -0.236388 -1.454155 0.680359
O -1.465777 -0.553794 -2.002026
C 0.973690 -0.530902 0.768594
C 0.708708 0.616297 -0.192257
C -0.551179 1.421918 0.138592
C -1.647608 0.524423 0.785791
C -1.606749 -0.970614 0.393524
C -2.096281 -1.346353 -0.994786
H 0.585147 -2.056807 0.149984
H 1.746528 2.251941 -0.608635
H -1.251398 1.482079 -1.672967
H -2.224782 0.365226 2.675422
H -1.747282 -0.858733 -2.872020
H 1.085633 -0.237223 1.816004
H 0.570505 0.164696 -1.178896
H -0.322633 2.176093 0.893930
H -2.620598 0.929999 0.488321
H -2.231218 -1.522710 1.100197
H -1.908881 -2.412235 -1.164139
H -3.181774 -1.188864 -1.001390
Na 3.609725 -0.273395 -0.328038
25
14B_1-3 local_minima zpe= -849.346983 
O 1.263036 1.150909 -1.288477
O  1.474892 0.385616 2.278564
O  -0.809291 2.577320 0.593023
O  -2.406470 -0.197826 0.543216
O  1.089354 -0.912134 -0.182894
O  -0.303022 -0.699577 -2.608526
C  1.616484 0.377968 -0.123838
C  1.080282 1.084761 1.119768
C  -0.461876 1.221948 1.028831
C  -1.148046 0.243930 0.051003
C  -0.353155 -1.052161 -0.234162
C  -0.699316 -1.644829 -1.593306
H  1.017270 0.511509 -1.990474
H  1.491985 -0.563063 2.095849
H  -1.165101 3.073832 1.337483
H  -3.094836 0.434971 0.314104
H  -0.344946 -1.122295 -3.472724
H  2.699087 0.250186 -0.080597
H  1.511419 2.087172 1.208363
H  -0.865431 1.057809 2.028317
H  -1.288467 0.773958 -0.894614
H  -0.623533 -1.779153 0.535574
H  -0.153973 -2.583473 -1.717383
H  -1.774856 -1.835645 -1.647332
Na  0.348509 3.208269 -1.259767
25
14B_1-3 transition_state zpe=-849.299091
O 1.186146 0.823440 -1.508433
O 0.777987 -2.551683 -0.124944
O 1.703214 0.503858 1.508625
O -1.329029 -0.117895 2.177779
O -0.637893 -0.285397 -1.462904
O -2.685666 1.454179 -0.380905
C 0.886142 -0.506207 -1.430351
C 1.294394 -1.229176 -0.149710
C 0.758695 -0.527541 1.112579
C -0.648261 0.074292 0.949677
C -1.412341 -0.551835 -0.233832
C -2.794835 0.033761 -0.444987
H -0.151060 0.785393 -1.561470
H 1.286054 -3.126525 -0.707970
H 1.718227 0.550791 2.471135
H -2.021121 0.546814 2.270689
H -3.506081 1.857902 -0.681615
H 1.098760 -1.089718 -2.331962
H 2.390008 -1.227452 -0.099785
H 0.713655 -1.288054 1.893503
H -0.543916 1.142572 0.739660
H -1.477834 -1.635062 -0.139454
H -3.175324 -0.300681 -1.415104
H -3.457314 -0.353273 0.337607
Na 2.409556 1.978683 -0.115386