25
1C4_1-2 local_minima zpe= -849.350258 
O -1.727558 0.889255 -1.425561
O  -2.274050 -1.550927 -0.347872
O  0.091683 -1.911945 -1.556581
O  1.531861 -0.702798 1.612617
O  -0.088321 1.354759 0.211870
O  0.771375 0.609381 -2.551146
C  -1.254348 0.656465 -0.082919
C  -1.162675 -0.855083 0.250528
C  0.148078 -1.532833 -0.185367
C  1.361367 -0.665053 0.199086
C  1.203540 0.826093 -0.149278
C  1.615622 1.243764 -1.555100
H  -0.963268 0.880629 -2.033610
H  -1.874696 -2.145282 -1.005800
H  0.353174 -1.162595 -2.117498
H  1.914100 -1.547501 1.874894
H  1.072390 0.853846 -3.434741
H  -2.016904 1.113359 0.553382
H  -1.250154 -0.942578 1.335119
H  0.232018 -2.476349 0.360625
H  2.247046 -1.055174 -0.316439
H  1.887493 1.353979 0.519310
H  1.517975 2.328283 -1.640937
H  2.657730 0.958478 -1.724061
Na  -3.704482 -0.193169 -1.528137
25
1C4_1-2 transition_state zpe= -849.297116
O 1.643926 0.880045 -1.133416
O 1.975337 -0.854919 0.881389
O -0.268897 -0.330116 2.010043
O -1.770625 -1.966289 -0.935080
O -0.445258 0.638163 -1.321067
O -1.269602 1.976988 1.033689
C 0.868655 -0.220223 -1.210454
C 0.878593 -1.174655 0.018449
C -0.420833 -1.190119 0.894768
C -1.692029 -0.951775 0.067082
C -1.743552 0.372762 -0.711839
C -2.212197 1.620863 0.016080
H 0.392018 1.406199 -1.112921
H 1.557412 -0.560389 1.714865
H -0.572771 0.574834 1.794971
H -2.064281 -2.797394 -0.545774
H -1.569434 2.761682 1.506409
H 0.892572 -0.763592 -2.158332
H 1.044446 -2.180839 -0.368960
H -0.498702 -2.193714 1.320297
H -2.562418 -0.983763 0.731855
H -2.438072 0.205860 -1.538748
H -2.302504 2.435645 -0.708452
H -3.201498 1.421294 0.441746
Na 3.484760 0.652916 0.017642
25
1C4_1-2 local_minima zpe= -849.349999 
O -1.808755 0.745387 -0.930148
O  -2.071490 -1.709887 0.214024
O  0.083832 -1.992652 -1.363979
O  1.875837 -0.829610 1.552616
O  0.070991 1.279532 0.395644
O  0.470104 0.540253 -2.465606
C  -1.104208 0.534884 0.309947
C  -0.902855 -0.971385 0.622728
C  0.342822 -1.606138 -0.020296
C  1.564370 -0.694632 0.171720
C  1.299281 0.788455 -0.172140
C  1.459070 1.197094 -1.633948
H  -1.160471 0.758344 -1.660247
H  -1.760361 -2.310275 -0.484437
H  0.204015 -1.234025 -1.958513
H  2.733285 -0.436448 1.747306
H  0.610419 0.781841 -3.389250
H  -1.759397 0.970560 1.068445
H  -0.806572 -1.058714 1.706414
H  0.560082 -2.534258 0.510565
H  2.379767 -1.070610 -0.458447
H  2.064009 1.369429 0.353021
H  1.330614 2.279139 -1.711457
H  2.462600 0.925900 -1.974804
Na  -3.726805 -0.428541 -0.715753
25
1C4_1-2 transition_state zpe= -849.308522
O 1.318771 1.128800 -1.243542
O 2.451380 -1.014884 0.131009
O 0.487611 0.393370 1.517362
O -1.515822 -2.382550 0.104367
O -0.672630 0.366453 -1.434224
O -1.731951 1.839149 0.762930
C 0.860886 -0.114087 -1.437294
C 1.083414 -1.131218 -0.302137
C 0.194101 -0.875919 0.921384
C -1.292420 -1.048466 0.549745
C -1.767499 -0.125476 -0.599641
C -2.556974 1.085606 -0.137090
H -0.017746 1.300921 -1.213821
H 3.007986 -1.651410 -0.329288
H -0.281437 0.988980 1.432942
H -1.616933 -2.974450 0.858032
H -2.210766 2.603256 1.102347
H 0.991804 -0.530702 -2.441053
H 0.881024 -2.142584 -0.659499
H 0.443605 -1.640820 1.663067
H -1.896779 -0.833655 1.437751
H -2.402908 -0.727059 -1.251334
H -2.837759 1.695964 -0.999906
H -3.466470 0.736505 0.362419
Na 2.507133 1.253610 0.669575
25
1C4_1-2-3 local_minima zpe= -849.366106 
O -1.558499 0.308853 -1.767144
O  -2.143300 -1.767205 -0.120913
O  0.287811 -1.876400 -1.523727
O  1.461968 -0.494081 1.691457
O  -0.182868 1.344219 -0.152524
O  1.473715 0.287973 -2.587543
C  -1.269320 0.496784 -0.369415
C  -1.071195 -0.886828 0.266442
C  0.264968 -1.518397 -0.137038
C  1.402585 -0.557651 0.268388
C  1.190355 0.888943 -0.224017
C  1.846925 1.222511 -1.558315
H  -1.694905 1.178254 -2.162168
H  -2.743607 -1.919246 0.614448
H  0.775496 -1.186692 -2.023461
H  1.944240 -1.254051 2.034980
H  2.049509 0.398456 -3.351895
H  -2.116710 1.011559 0.090527
H  -1.060227 -0.748856 1.348838
H  0.384779 -2.449452 0.423021
H  2.345982 -0.931927 -0.144643
H  1.693254 1.522956 0.509507
H  1.552357 2.234753 -1.847960
H  2.931994 1.199193 -1.411901
Na  -1.850363 -1.910385 -2.372989
25
1C4_1-2-3 transition_state zpe= -849.308521
O 1.318747 -1.129199 1.243128
O 2.451545 1.015105 -0.130321
O 0.487713 -0.393223 -1.517442
O -1.515987 2.382523 -0.104509
O -0.672468 -0.366707 1.434172
O -1.732256 -1.838841 -0.763036
C 0.860722 0.113669 1.437247
C 1.083400 1.131097 0.302372
C 0.194276 0.876007 -0.921297
C -1.292282 1.048445 -0.549710
C -1.767339 0.125544 0.599759
C -2.557077 -1.085358 0.137213
H -0.017681 -1.301309 1.213466
H 3.007833 1.651291 0.330834
H -0.281434 -0.988729 -1.433326
H -1.616854 2.974355 -0.858261
H -2.210674 -2.603684 -1.101351
H 0.992147 0.529978 2.441073
H 0.880780 2.142377 0.659862
H 0.443742 1.641023 -1.662876
H -1.896521 0.833412 -1.437745
H -2.402462 0.727236 1.251627
H -2.837878 -1.695789 0.999968
H -3.466562 -0.736026 -0.362161
Na 2.507000 -1.253440 -0.670050
25
1C4_1-2-3_[1]_local_minima zpe= -849.366067 
O -1.663151 0.241049 -1.503688
O  -2.180712 -1.689573 0.298228
O  0.132257 -1.991971 -1.307198
O  1.553306 -0.590600 1.724618
O  -0.111791 1.310302 -0.084843
O  1.266733 0.060595 -2.607188
C  -1.240943 0.489125 -0.151408
C  -1.025456 -0.863328 0.539621
C  0.249616 -1.563214 0.052675
C  1.441234 -0.621404 0.305315
C  1.230016 0.802438 -0.264587
C  1.767573 1.033196 -1.674354
H  -1.844639 1.091598 -1.920792
H  -2.469532 -2.106933 1.115326
H  0.589486 -1.348874 -1.889830
H  2.403707 -0.223625 1.987894
H  1.766143 0.110060 -3.429500
H  -2.024738 1.054144 0.357592
H  -0.915764 -0.664502 1.606701
H  0.410185 -2.458980 0.655315
H  2.338152 -1.059291 -0.148544
H  1.821738 1.476174 0.362761
H  1.484277 2.039593 -1.994556
H  2.860566 0.973565 -1.628136
Na  -2.079181 -1.990299 -1.955840
25
1C4_1-2-3 transition_state zpe=-849.308521
O 1.318872 -1.128901 1.243495
O 2.451540 1.015061 -0.130781
O 0.487622 -0.393591 -1.517328
O -1.515637 2.382589 -0.104645
O -0.672363 -0.366419 1.434311
O -1.732454 -1.838754 -0.763110
C 0.860820 0.114022 1.437232
C 1.083450 1.131153 0.302042
C 0.194240 0.875792 -0.921480
C -1.292265 1.048412 -0.549743
C -1.767275 0.125609 0.599834
C -2.557000 -1.085376 0.137474
H -0.017502 -1.301046 1.213880
H 3.008045 1.650563 0.331071
H -0.281680 -0.988928 -1.433427
H -1.617724 2.974168 -0.858423
H -2.210817 -2.603809 -1.101023
H 0.992173 0.530634 2.440942
H 0.880882 2.142543 0.659253
H 0.443639 1.640653 -1.663240
H -1.896653 0.833421 -1.437681
H -2.402445 0.727364 1.251599
H -2.837425 -1.695875 1.000303
H -3.466711 -0.736128 -0.361550
Na 2.506705 -1.253737 -0.669946
25
1H2_1-3-6 local_minima zpe= -849.359249 
O -1.532460 0.682387 -1.792710
O  -2.249894 -1.630494 -0.345839
O  0.051963 -1.861156 -1.714852
O  1.742264 -0.839744 1.330615
O  -0.172995 1.386949 -0.007107
O  1.591382 0.953939 -2.631442
C  -1.290498 0.636562 -0.374632
C  -1.183147 -0.816545 0.117518
C  0.111152 -1.498420 -0.319486
C  1.358893 -0.640710 -0.029016
C  1.175438 0.892263 -0.167263
C  1.895442 1.543844 -1.342116
H  -1.999093 1.504505 -1.981029
H  -2.989507 -1.612699 0.269672
H  -0.650925 -2.522657 -1.780630
H  2.121681 -1.718970 1.442224
H  2.258132 1.265123 -3.253546
H  -2.129917 1.128312 0.121642
H  -1.162954 -0.759678 1.210846
H  0.216462 -2.422904 0.255394
H  2.152880 -0.968230 -0.709033
H  1.685465 1.304013 0.706708
H  1.635387 2.605267 -1.357296
H  2.969962 1.444946 -1.160981
Na  -0.159587 -0.279697 -3.313183
25
1H2_1-3-6 transition_state zpe= -849.294285
O 0.535937 -1.636402 1.097902
O 2.939232 -0.282473 0.066874
O 0.627011 -0.483655 -1.676197
O 0.034886 2.842739 -0.225129
O -0.535169 0.173445 1.561835
O -2.296244 -0.943834 -0.401610
C 0.958111 -0.387155 1.398705
C 1.735209 0.396860 0.349204
C 0.931313 0.711350 -0.916878
C -0.345055 1.520423 -0.598480
C -1.219159 1.026232 0.586099
C -2.526053 0.340556 0.223347
H -0.579758 -0.984901 1.379720
H 2.749114 -1.219546 -0.065473
H 1.062142 -0.418389 -2.531674
H 0.331767 3.340215 -0.995713
H -3.160444 -1.338098 -0.569025
H 1.366385 -0.263444 2.404642
H 2.016371 1.359243 0.784251
H 1.564730 1.348064 -1.539311
H -0.971300 1.533810 -1.497538
H -1.488714 1.932090 1.132211
H -3.111490 0.196728 1.135612
H -3.083187 0.994188 -0.454100
Na -0.395185 -2.317103 -0.802271
25
1S3_1-2 local_minima zpe= -849.358801 
O -1.180647 1.843597 0.874702
O  1.306083 2.589061 0.419329
O  2.758009 0.488053 0.435828
O  1.213458 -1.939821 0.858582
O  -1.145598 0.235415 -0.841931
O  -2.180778 -0.483679 1.734194
C  -0.712250 1.495484 -0.438163
C  0.836096 1.595413 -0.505613
C  1.509560 0.227867 -0.216716
C  0.624353 -0.666906 0.650391
C  -0.687677 -0.928739 -0.106779
C  -1.819233 -1.472497 0.750009
H  -1.757296 1.116243 1.205699
H  2.241913 2.373618 0.572401
H  3.468826 0.007448 0.000418
H  1.876997 -1.873450 1.553551
H  -2.985751 -0.754609 2.187953
H  -1.166407 2.187354 -1.149879
H  1.101486 1.914780 -1.517478
H  1.684973 -0.287110 -1.165067
H  0.432021 -0.174144 1.609142
H  -0.469227 -1.683725 -0.867111
H  -2.674863 -1.693088 0.106485
H  -1.481320 -2.389481 1.240493
Na  -0.132726 3.522914 1.859558
25
1S3_1-2 transition_state zpe= -849.304814
O 1.984440 -1.007310 0.778410
O 1.532258 1.147054 -0.713048
O -0.630848 2.724058 -0.456846
O -2.725038 0.844566 -0.389521
O -0.086748 -1.081065 1.194153
O -0.833924 -2.295322 -1.130120
C 1.128431 -0.118524 1.327278
C 0.920154 1.215589 0.585150
C -0.560525 1.593872 0.421654
C -1.368135 0.473572 -0.243681
C -1.399559 -0.790763 0.619830
C -1.826883 -2.035776 -0.136527
H 0.810003 -1.637811 0.676696
H 1.205170 1.919133 -1.200514
H -0.773630 3.536337 0.040662
H -2.778137 1.584919 -1.005287
H -1.095211 -3.065721 -1.644645
H 1.226218 0.036556 2.405594
H 1.429590 1.990968 1.169354
H -1.001127 1.830873 1.395940
H -0.918817 0.243941 -1.215822
H -2.081335 -0.623491 1.456947
H -1.912025 -2.874712 0.562224
H -2.807042 -1.837450 -0.580743
Na 3.037665 -0.526111 -1.069713
25
1S3_1-2 local_minima zpe= -849.350824 
O -0.886528 1.683307 1.284302
O  1.310043 2.646042 0.218391
O  2.821739 0.459141 -0.197484
O  1.389924 -2.016909 0.296972
O  -1.312062 0.261091 -0.540498
O  -1.665584 -0.736121 2.110733
C  -0.789146 1.481213 -0.138502
C  0.680601 1.627468 -0.594243
C  1.453148 0.275165 -0.538076
C  0.776134 -0.744589 0.378348
C  -0.678557 -0.959196 -0.073369
C  -1.564294 -1.616131 0.972485
H  -1.349824 0.906657 1.680129
H  2.157517 2.860009 -0.191867
H  2.885980 0.718784 0.729826
H  2.345744 -1.916366 0.383928
H  -2.325240 -1.071687 2.726681
H  -1.413451 2.233248 -0.625837
H  0.666860 1.981464 -1.627559
H  1.473271 -0.146059 -1.545692
H  0.803878 -0.378998 1.415046
H  -0.645791 -1.621882 -0.941294
H  -2.553969 -1.790880 0.542812
H  -1.116242 -2.568387 1.269149
Na  0.235847 3.413615 2.055619
25
1S3_1-2 transition_state zpe= -849.303393
O 1.992362 -0.972499 0.793426
O 1.503531 1.153429 -0.728177
O -0.602507 2.750932 -0.383573
O -2.701067 0.885883 -0.525991
O -0.083553 -1.077725 1.205747
O -0.768905 -2.286950 -1.138356
C 1.131554 -0.086622 1.330972
C 0.903717 1.231868 0.573659
C -0.579734 1.586856 0.426546
C -1.376785 0.456144 -0.236186
C -1.394599 -0.818741 0.617687
C -1.782565 -2.066127 -0.159730
H 0.827724 -1.620592 0.698891
H 1.162754 1.919998 -1.216370
H -1.494749 2.866547 -0.738673
H -3.202347 1.011608 0.290656
H -1.006500 -3.049584 -1.675687
H 1.216031 0.075218 2.409165
H 1.400791 2.026630 1.140934
H -0.994636 1.803039 1.423414
H -0.934369 0.234516 -1.208262
H -2.085318 -0.690148 1.458026
H -1.859385 -2.915486 0.527456
H -2.760131 -1.888744 -0.620279
Na 3.054702 -0.474347 -1.053780
25
2SO_1-2 local_minima zpe= -849.34719 
O -1.286857 2.544846 0.120465
O 0.917725 1.558100 1.299046
O 2.849162 0.059808 -0.397714
O 0.960710 -2.195936 -0.918040
O -1.267521 0.402950 -0.810236
O -0.950968 -0.182773 2.180852
C -0.563655 1.601068 -0.699507
C 0.862827 1.476704 -0.139435
C 1.466117 0.177603 -0.669050
C 0.689318 -1.040946 -0.145011
C -0.845467 -0.831985 -0.179058
C -1.523073 -1.046457 1.166040
H -2.160028 2.660135 -0.275116
H 0.397457 0.821599 1.689454
H 3.006441 0.224606 0.540478
H 1.913141 -2.356176 -0.915451
H -1.087482 -0.578145 3.048240
H -0.513868 2.014167 -1.711316
H 1.456360 2.319975 -0.496640
H 1.380795 0.184255 -1.759941
H 1.004374 -1.216003 0.892981
H -1.242158 -1.597018 -0.848324
H -2.592050 -0.839787 1.076229
H -1.380696 -2.092379 1.452575
Na -0.340605 3.311792 2.008480
25
2SO_1-2_transition_state zpe= -849.294482
O -2.135856 0.258184 1.135225
O -1.008160 -0.908453 -1.070043
O 1.586702 -2.389595 -0.576883
O 3.074555 0.001804 0.208594
O -0.130652 0.940817 1.322922
O -0.210849 1.826188 -1.362184
C -0.966256 -0.385535 1.326840
C -0.471557 -1.298899 0.206209
C 1.055590 -1.359732 0.235780
C 1.703329 -0.014841 -0.138143
C 1.093655 1.231921 0.550889
C 0.767941 2.336520 -0.434457
H -1.231335 1.253182 1.092782
H -0.663326 -0.027595 -1.315290
H 1.187943 -2.346237 -1.455411
H 3.511168 -0.746805 -0.218646
H -0.289904 2.425244 -2.112616
H -0.804992 -0.813741 2.320666
H -0.860258 -2.304053 0.392692
H 1.360675 -1.611254 1.256901
H 1.598798 0.103957 -1.224859
H 1.818600 1.591827 1.280931
H 0.370950 3.213211 0.085636
H 1.690561 2.616212 -0.951737
Na -3.290091 -0.385647 -0.626801
25
3H2_1-6 local_minima zpe= -849.351378 
O -1.633400 0.673316 -1.706190
O  -2.250063 -1.535028 -0.079306
O  0.171214 -1.369687 -1.841650
O  1.503956 -0.782099 1.534046
O  -0.049309 1.449249 -0.163373
O  1.345636 1.207249 -2.602480
C  -1.224229 0.661835 -0.328794
C  -1.090880 -0.774409 0.182778
C  0.177310 -1.410567 -0.386089
C  1.395730 -0.628531 0.124069
C  1.299729 0.892023 -0.134595
C  2.054276 1.398862 -1.369465
H  -1.147027 -0.045880 -2.150592
H  -2.682279 -1.223436 -0.883071
H  0.038833 -2.257918 -2.190958
H  1.860900 -1.650769 1.751496
H  1.267521 0.258068 -2.777981
H  -2.007496 1.196892 0.207230
H  -0.969430 -0.735151 1.267418
H  0.238618 -2.449270 -0.055630
H  2.295922 -1.003251 -0.376416
H  1.773556 1.351851 0.736005
H  2.196705 2.478281 -1.279957
H  3.049271 0.946763 -1.415999
Na  -0.503016 2.568072 -2.378364
25
3H2_1-6_transition_state zpe= -849.295481
O 1.380108 0.416720 -1.618244
O 2.068846 -1.356509 0.338109
O 0.428794 -0.001802 1.831730
O -2.088243 -1.853739 0.023774
O -0.761319 0.238897 -1.551471
O -0.216523 2.237821 0.594951
C 0.591742 -0.651489 -1.458941
C 0.725661 -1.464487 -0.143268
C -0.180656 -1.044688 1.042159
C -1.591172 -0.644757 0.585593
C -1.673704 0.495968 -0.447464
C -1.498367 1.938859 0.040489
H 0.162938 0.935893 -1.721296
H 2.650533 -1.925647 -0.179444
H 0.804230 -0.407591 2.620565
H -3.036678 -1.793971 -0.135808
H -0.198556 1.854672 1.481825
H 0.464485 -1.293252 -2.335198
H 0.479245 -2.502718 -0.373413
H -0.303106 -1.923826 1.675412
H -2.169536 -0.347521 1.469130
H -2.677957 0.447787 -0.884159
H -1.628894 2.605863 -0.813208
H -2.293895 2.165795 0.758600
Na 2.092078 1.177908 0.343163
25
3S1_1-2 local_minima zpe= -849.358766 
O -1.772463 2.529504 -0.239498
O  0.564055 2.514077 1.063115
O  1.547800 0.242333 1.463614
O  0.682063 -0.586181 -2.024411
O  -1.406251 0.323460 0.217519
O  -0.319410 -1.635634 2.024387
C  -0.933897 1.420178 -0.533363
C  0.513859 1.755286 -0.149484
C  1.335492 0.427419 0.073084
C  0.656913 -0.776541 -0.606796
C  -0.838045 -0.926891 -0.218025
C  -1.108588 -1.950133 0.869669
H  -2.643702 2.355018 -0.615933
H  0.997323 1.908937 1.705659
H  0.920536 -0.421538 1.819346
H  1.561036 -0.781046 -2.367952
H  -0.382735 -2.336859 2.680973
H  -0.983757 1.195467 -1.604781
H  0.964717 2.351744 -0.945312
H  2.323749 0.558514 -0.372571
H  1.196381 -1.687896 -0.331106
H  -1.360041 -1.261056 -1.123055
H  -2.172786 -1.927534 1.121192
H  -0.853488 -2.943635 0.486171
Na  -1.108762 3.903008 1.427561
25
3S1_1-2 transition_state zpe= -849.295488
O -1.900805 -0.613880 -1.388341
O -1.904493 0.420225 1.184106
O 0.491715 0.293340 2.018716
O 1.523930 2.024048 -1.078979
O 0.141487 -0.754156 -0.890823
O 2.023816 -1.729121 1.000054
C -0.968535 0.301805 -1.061099
C -1.026826 1.064346 0.262295
C 0.417915 1.174164 0.912601
C 1.578939 0.988106 -0.100428
C 1.541995 -0.345617 -0.900356
C 2.391843 -1.476193 -0.356371
H -0.680650 -1.343904 -1.413699
H -1.332342 0.127757 1.922338
H 0.991140 -0.514208 1.787569
H 1.868832 2.846543 -0.713875
H 2.639203 -2.345063 1.412099
H -0.639088 0.954818 -1.877460
H -1.413468 2.066939 0.063875
H 0.518853 2.182408 1.320891
H 2.520316 1.028580 0.457121
H 1.850079 -0.128629 -1.925972
H 2.241642 -2.371675 -0.968474
H 3.442626 -1.175488 -0.434568
Na -3.511301 -0.790125 0.097495
25
4C1_1-2 local_minima zpe= -849.349238 
O -1.149403 2.875643 -0.236811
O  0.833787 1.863847 1.414359
O  2.868518 0.188507 0.094381
O  1.091833 -2.102032 -0.456066
O  -1.276726 0.622228 0.051588
O  -1.502233 -1.416627 1.934642
C  -0.536927 1.637356 -0.573132
C  0.886749 1.633128 -0.017449
C  1.533525 0.289727 -0.362782
C  0.674789 -0.886335 0.132166
C  -0.812823 -0.719581 -0.238076
C  -1.706597 -1.665712 0.544106
H  -2.014274 2.920587 -0.664080
H  0.356209 1.121883 1.816753
H  2.907141 0.398582 1.035841
H  2.027150 -2.240065 -0.262323
H  -1.946794 -2.098455 2.447471
H  -0.529465 1.511583 -1.664596
H  1.481463 2.451843 -0.426891
H  1.599332 0.223308 -1.453918
H  0.749333 -0.953913 1.227182
H  -0.930923 -0.922188 -1.310249
H  -2.749552 -1.485816 0.261547
H  -1.432225 -2.690206 0.274445
Na  -0.401886 3.772709 1.721890
25
4C1_1-2 transition_state zpe= -849.294482
O -2.135536 -0.257265 -1.135680
O -1.008036 0.908960 1.069936
O 1.587853 2.388895 0.577061
O 3.074622 -0.003209 -0.208603
O -0.130414 -0.940549 -1.323785
O -0.212399 -1.825316 1.362538
C -0.965731 0.386141 -1.326964
C -0.470887 1.299114 -0.206118
C 1.056301 1.359195 -0.235504
C 1.703442 0.014001 0.138344
C 1.093031 -1.232447 -0.550628
C 0.765832 -2.336613 0.434727
H -1.231331 -1.252734 -1.094097
H -0.663604 0.027975 1.315358
H 1.189816 2.345188 1.455899
H 3.511560 0.745374 0.218351
H -0.289968 -2.422888 2.114306
H -0.804486 0.814788 -2.320603
H -0.858956 2.304496 -0.392686
H 1.361532 1.610512 -1.256632
H 1.599040 -0.104841 1.225068
H 1.818201 -1.593229 -1.280019
H 0.367692 -3.212721 -0.085473
H 1.688056 -2.617607 0.951992
Na -3.289836 0.386110 0.626696
25
14B_1-2-3 local_minima zpe= -849.360837 
O -0.646903 1.606881 1.300385
O  1.573991 2.608206 -0.102497
O  2.394007 0.484880 1.122113
O  1.106145 -2.213375 0.279481
O  -1.280909 0.388916 -0.612489
O  -2.014678 -0.745353 1.837282
C  -0.608554 1.504185 -0.134631
C  0.856999 1.450529 -0.568383
C  1.554067 0.169578 -0.014641
C  0.571442 -0.913309 0.480298
C  -0.800925 -0.919615 -0.220346
C  -1.878760 -1.551210 0.650778
H  -1.353602 1.008660 1.622380
H  1.512045 3.316308 -0.752465
H  3.297637 0.622236 0.817855
H  1.687294 -2.444383 1.011667
H  -2.792129 -1.024602 2.331647
H  -1.122688 2.366249 -0.567500
H  0.873631 1.416647 -1.660108
H  2.173641 -0.270568 -0.797490
H  0.418763 -0.733884 1.546911
H  -0.707751 -1.505499 -1.138042
H  -2.818009 -1.567697 0.092277
H  -1.588120 -2.572889 0.911372
Na  1.333367 2.299110 2.194145
25
14B_1-2-3 transition_state zpe =-849.304187
O -1.024004 -1.552572 0.758414
O -2.613972 0.053871 -1.026842
O -1.364527 1.542787 0.701732
O 1.619334 2.131698 -0.183037
O 0.764503 -1.461892 -0.415749
O 3.003334 -0.493084 1.173395
C -0.777131 -1.382902 -0.557915
C -1.188497 -0.029693 -1.150753
C -0.551893 1.183962 -0.431020
C 0.899617 0.928052 0.024632
C 1.562210 -0.256717 -0.701302
C 2.985225 -0.532926 -0.248488
H 0.339225 -1.593842 0.663107
H -3.042020 -0.256197 -1.831947
H -1.248554 2.481237 0.884133
H 2.343873 2.185867 0.450985
H 3.834405 -0.850589 1.502163
H -1.042387 -2.222381 -1.211600
H -0.897908 0.014028 -2.204692
H -0.541600 2.020095 -1.134320
H 0.867693 0.677014 1.087868
H 1.557813 -0.129738 -1.786202
H 3.294109 -1.509573 -0.634556
H 3.638993 0.232978 -0.681537
Na -2.705288 -0.206729 1.383852
25
B14_1-2 local_minima zpe= -849.352407 
O -1.279564 2.807022 0.390516
O  0.673987 1.428972 1.790963
O  2.215868 -0.474385 0.622218
O  0.050235 -0.292397 -2.230040
O  -1.461729 0.555074 0.190902
O  -0.021851 -1.150193 2.129357
C  -0.676199 1.662482 -0.201496
C  0.740824 1.518871 0.365016
C  1.418952 0.267812 -0.292866
C  0.378266 -0.706730 -0.903162
C  -0.957296 -0.764996 -0.144396
C  -0.948246 -1.606293 1.131374
H  -2.052303 3.055784 -0.130490
H  0.427469 0.498774 2.025551
H  2.956039 0.058064 0.935676
H  0.743656 -0.563099 -2.841900
H  0.863128 -1.481200 1.918178
H  -0.661164 1.772842 -1.289321
H  1.317194 2.418698 0.141073
H  2.037840 0.621562 -1.123056
H  0.819368 -1.708560 -0.905425
H  -1.681672 -1.219180 -0.827886
H  -1.937479 -1.550617 1.586326
H  -0.750105 -2.652942 0.880462
Na  -0.915217 2.784634 2.632426
25
B14_1-2 transition_state zpe= -849.293135
O 1.936682 -1.328037 -0.465499
O 1.354746 1.014827 0.707778
O -1.178457 1.684697 1.324354
O -2.162706 -1.654035 0.798140
O -0.096507 -1.207113 -1.028699
O -0.330835 1.849623 -1.258180
C 0.791919 -1.315722 0.250547
C 0.570713 -0.088096 1.158401
C -0.954774 0.277939 1.347382
C -1.900188 -0.348454 0.300161
C -1.335091 -0.433560 -1.129160
C -1.146507 0.872985 -1.900728
H 0.975933 -1.125143 -1.427877
H 0.891351 1.415211 -0.060875
H -0.770640 2.102952 2.091152
H -2.877884 -2.070379 0.304173
H -0.846249 2.268410 -0.549511
H 0.497292 -2.255181 0.722644
H 0.979291 -0.352275 2.137645
H -1.283910 -0.134807 2.302920
H -2.809266 0.262814 0.278742
H -2.009324 -1.055525 -1.727054
H -0.671525 0.650737 -2.858203
H -2.138877 1.283593 -2.117187
Na 3.429454 0.212668 0.010970
25
B14_1-2 local_minima zpe= -849.352404 
O -1.293487 2.834939 0.086049
O  0.671074 1.596195 1.595983
O  2.220661 -0.394627 0.594538
O  0.047141 -0.475296 -2.256375
O  -1.464059 0.573321 0.084106
O  -0.009570 -0.946510 2.161698
C  -0.685281 1.646294 -0.405408
C  0.733861 1.560438 0.167553
C  1.417282 0.259991 -0.379777
C  0.380534 -0.769867 -0.899287
C  -0.952826 -0.768264 -0.134536
C  -0.935842 -1.493801 1.210445
H  -2.070487 3.031463 -0.450737
H  0.430562 0.688889 1.912202
H  2.957917 0.167773 0.858692
H  0.740721 -0.794684 -2.844097
H  0.876630 -1.290384 1.978080
H  -0.673186 1.661418 -1.498767
H  1.304759 2.439978 -0.136689
H  2.032081 0.542755 -1.239713
H  0.827158 -1.765697 -0.814823
H  -1.676248 -1.285084 -0.773093
H  -1.924267 -1.403860 1.661677
H  -0.732167 -2.557346 1.052076
Na  -0.922963 3.011966 2.320202
25
B14_1-2 transition_state zpe= -849.293136
O 1.936825 -1.328406 -0.465074
O 1.354765 1.014946 0.707309
O -1.178215 1.684811 1.324574
O -2.164165 -1.653047 0.798636
O -0.096463 -1.207557 -1.028432
O -0.330604 1.849231 -1.258826
C 0.791967 -1.315749 0.250742
C 0.570884 -0.087958 1.158379
C -0.954540 0.278058 1.347425
C -1.900218 -0.347980 0.300186
C -1.334952 -0.433826 -1.129009
C -1.146554 0.872516 -1.900939
H 0.975849 -1.125607 -1.427531
H 0.891226 1.415112 -0.061364
H -0.767870 2.103243 2.089940
H -2.878130 -2.069747 0.303217
H -0.846121 2.268874 -0.550761
H 0.497047 -2.255007 0.723091
H 0.979780 -0.351863 2.137561
H -1.283603 -0.134900 2.302915
H -2.808645 0.264265 0.278304
H -2.009144 -1.055992 -1.726742
H -0.672079 0.650163 -2.858638
H -2.139026 1.283135 -2.116882
Na 3.429458 0.212558 0.010973