25
3S1_1-2-4 local_minima zpe= -849.360921
O 0.758386 1.859686 -1.563173
O  -2.252058 0.841786 -1.247905
C  2.557523 -0.197180 0.905144
O  2.041491 0.247235 2.159226
O  0.494806 -1.046633 0.112055
O  -0.495196 1.327694 1.858584
C  -0.715787 -0.938603 -0.574445
C  -1.479143 0.339890 -0.136540
C  -0.542274 1.429074 0.457766
C  0.857693 1.397616 -0.180566
C  1.477164 -0.023533 -0.151129
H  1.499102 2.089690 0.366779
H  1.931859 -0.207839 -1.129276
H  1.264571 2.673099 -1.650980
H  0.295431 0.839023 2.148238
H  -3.075056 1.218325 -0.920165
H  2.838326 -1.253265 0.945920
H  3.435582 0.393558 0.617621
H  -2.151143 0.051584 0.672799
H  -0.992188 2.398155 0.219394
H  2.605643 -0.036870 2.885347
H  -1.278605 -1.832664 -0.305594
O  -0.513316 -0.924618 -1.995747
H  -0.218652 -1.802053 -2.266638
Na  -0.860499 1.069259 -3.018229
25
3S1_1-2-4 transition_state zpe= -849.360917
C -0.129854 1.164756 0.705256
C 0.540710 1.113447 -0.701143
C 0.349370 -0.170416 -1.466635
C -1.223475 -1.088925 0.138885
C -0.367793 -0.300619 1.146476
H 0.837292 -0.281674 -2.431016
H -0.003546 1.832993 -1.335140
H -1.090345 -2.148607 0.363387
H -0.929907 -0.295711 2.093007
H 0.620252 1.559054 1.393401
O -0.580669 -0.992491 -1.236468
C -2.706418 -0.843552 -0.059707
H -3.099680 -1.594646 -0.751169
H -3.193782 -0.975979 0.913452
O -2.922772 0.466257 -0.583160
H -3.852086 0.585772 -0.809741
O 0.874990 -0.901420 1.265392
H 1.479417 -1.489140 0.144215
O 2.122467 -1.486318 -0.710442
H 2.209672 -2.358047 -1.112209
O 1.936256 1.429476 -0.699298
H 2.050638 2.371879 -0.869149
O -1.203019 2.063419 0.764270
H -1.976777 1.684122 0.312951
Na 2.968337 -0.063076 0.901627
25
3S1_2-4 local_minima zpe= -849.347344
O 0.206257 -0.769429 2.428723
O  1.006062 1.781628 2.234102
O  0.815012 1.617732 -1.280167
O  -1.741068 0.714066 1.211562
O  0.676366 -1.219252 0.172329
O  -0.049234 -0.608833 -2.569592
C  1.093203 -0.547610 1.331702
C  1.200044 0.977996 1.046875
C  0.193189 1.454519 -0.038693
C  -1.047855 0.543019 -0.058273
C  -0.669874 -0.943551 -0.266140
C  -0.790863 -1.454280 -1.693709
H  0.328530 -1.671411 2.750278
H  1.796891 1.755288 2.783750
H  0.679008 0.834660 -1.845446
H  -1.463986 -0.023513 1.781238
H  0.048795 -1.010454 -3.438706
H  2.072997 -0.968961 1.563191
H  2.192303 1.175021 0.639146
H  -0.138077 2.457901 0.261348
H  -1.740170 0.870852 -0.833804
H  -1.366019 -1.551411 0.325686
H  -0.407028 -2.478124 -1.721278
H  -1.851236 -1.463989 -1.971779
Na  -1.133246 2.398137 2.637658
25
3S1_2-4 transition_state zpe=-849.293978
O -1.663749 1.964332 0.242348
O -2.175906 -0.076129 -0.953200
O 1.042112 -1.704238 -1.171996
O -0.792247 -0.203487 1.674302
O 0.941392 1.367786 -0.670002
O 3.181612 -0.590642 0.075110
C -0.100061 1.080619 -1.330096
C -0.848588 -0.241669 -1.274233
C -0.030095 -1.223559 -0.402044
C 0.385172 -0.527638 0.913857
C 1.244726 0.721041 0.655284
C 2.749116 0.569927 0.771254
H -2.078595 2.824922 0.121425
H -2.140482 1.206305 -0.315644
H 1.900436 -1.559633 -0.740872
H -1.070211 0.711219 1.462122
H 4.139594 -0.683293 0.118234
H -0.327828 1.800399 -2.115898
H -0.709692 -0.599966 -2.316202
H -0.685306 -2.065990 -0.136309
H 0.968079 -1.217072 1.528361
H 0.948513 1.515838 1.342697
H 3.226937 1.473514 0.379662
H 2.975397 0.492644 1.841552
Na -2.892197 -1.112017 0.841295
25
3S1_2-4 local_minima zpe= -849.347344
O 0.206257 -0.769429 2.428723
O  1.006062 1.781628 2.234102
O  0.815012 1.617732 -1.280167
O  -1.741068 0.714066 1.211562
O  0.676366 -1.219252 0.172329
O  -0.049234 -0.608833 -2.569592
C  1.093203 -0.547610 1.331702
C  1.200044 0.977996 1.046875
C  0.193189 1.454519 -0.038693
C  -1.047855 0.543019 -0.058273
C  -0.669874 -0.943551 -0.266140
C  -0.790863 -1.454280 -1.693709
H  0.328530 -1.671411 2.750278
H  1.796891 1.755288 2.783750
H  0.679008 0.834660 -1.845446
H  -1.463986 -0.023513 1.781238
H  0.048795 -1.010454 -3.438706
H  2.072997 -0.968961 1.563191
H  2.192303 1.175021 0.639146
H  -0.138077 2.457901 0.261348
H  -1.740170 0.870852 -0.833804
H  -1.366019 -1.551411 0.325686
H  -0.407028 -2.478124 -1.721278
H  -1.851236 -1.463989 -1.971779
Na  -1.133246 2.398137 2.637658
25
3S1_2-4 transition_state zpe=-849.297759
O -2.090533 1.545617 -0.481701
O -1.781038 -1.305591 -1.041603
O 1.306972 -2.121034 0.441350
O -0.916466 0.615530 1.404590
O 0.654249 1.253343 -0.943430
O 3.021657 -0.231927 -0.461728
C -0.227765 0.465169 -1.384490
C -0.401679 -0.951692 -0.901806
C 0.200977 -1.263213 0.501780
C 0.355016 0.090434 1.238417
C 1.224559 1.091970 0.457622
C 2.724497 0.938945 0.297982
H -2.195241 2.477120 -0.705847
H -1.846891 -2.198334 -1.400416
H 2.085182 -1.634543 0.118911
H -1.490044 1.396735 0.390998
H 3.964973 -0.273305 -0.655848
H -0.672909 0.752786 -2.332964
H 0.202864 -1.511532 -1.634635
H -0.564559 -1.811170 1.054387
H 0.870093 -0.086879 2.195058
H 1.035544 2.080151 0.880479
H 3.118610 1.825469 -0.207649
H 3.157839 0.889397 1.303894
Na -2.952530 -0.198460 0.763344
25
4C1_1-6_local_minima zpe= -849.367126
C -0.229484 -1.388696 0.625885
C 0.803106 0.705380 0.001124
C -1.638370 -0.756999 0.482372
C -1.632509 0.595845 -0.247770
C -0.486541 1.482135 0.247321
O 0.530772 -0.500906 0.817043
O -2.449860 -1.667949 -0.237732
O -2.836988 1.308858 -0.029289
O -0.411954 2.698212 -0.462156
H 0.810869 0.382280 -1.048546
H -2.024401 -0.580989 1.495928
H -3.055502 -2.142495 0.341646
H -1.489305 0.414629 -1.321254
H -3.551580 0.906656 -0.535850
H -0.600316 1.662695 1.325855
H -1.307495 3.048417 -0.557448
C 2.094587 1.442835 0.268085
H 2.198629 1.683427 1.329518
H 2.112390 2.357471 -0.326072
O 3.157822 0.546101 -0.146422
H 4.002167 1.007983 -0.112593
Na 2.480516 -1.647163 -0.350944
O 0.137249 -2.104415 -0.556115
H -0.526412 -2.806715 -0.549319
H -0.210460 -2.067206 1.483490
25
4C1_1-6 transition_state zpe= -849.28923
C -0.150746 -1.540210 0.495266
C 0.708531 0.803858 0.109444
C -1.379124 -0.711199 0.671567
C -1.684407 0.480958 -0.182077
C -0.604196 1.576279 0.115322
O 0.569596 -0.221626 1.095462
O -2.691384 -1.987067 -0.344293
O -2.945367 1.040701 0.106170
O -0.591023 2.566529 -0.873750
H 0.796336 0.354982 -0.890092
H -1.884833 -0.754201 1.632166
H -3.160763 -2.679065 0.141768
H -1.580911 0.226629 -1.241411
H -3.629956 0.557606 -0.370628
H -0.805614 1.991515 1.110296
H -1.368763 3.129736 -0.781483
C 1.990970 1.563725 0.366507
H 2.094834 1.821044 1.423361
H 2.008615 2.466797 -0.247963
O 3.059448 0.665735 -0.035434
H 3.909432 1.094234 0.111876
Na 2.450406 -1.477015 -0.739218
O 0.251261 -1.904793 -0.667170
H -2.029771 -2.427435 -0.906785
H 0.002937 -2.220616 1.346059
25
4C1_2-3 local_minima zpe= -849.366935 
O -2.574660 0.703441 0.187931
O  -1.414043 -1.822565 -0.297663
O  1.268452 -2.113235 0.259096
H  1.622830 0.302197 1.406936
O  0.997954 1.566665 -0.137565
H  -1.258820 0.577244 -1.369069
C  -0.351926 1.759558 0.184559
C  -1.215472 0.573067 -0.277395
C  -0.610730 -0.732513 0.211041
C  0.836417 -0.860723 -0.237845
C  1.618879 0.345747 0.312588
H  -2.538376 1.187892 1.027933
H  -0.635490 -0.767899 1.305522
H  -0.871676 -2.622910 -0.230556
H  0.885723 -0.840076 -1.337370
H  2.234775 -2.156901 0.177921
C  3.050972 0.420358 -0.210664
H  3.570694 1.252341 0.273338
H  3.030448 0.598538 -1.291847
O  3.674019 -0.830397 0.094020
H  4.602442 -0.809064 -0.158348
Na  -3.597151 -1.281647 -0.282891
O  -0.601558 1.878277 1.573107
H  -0.251068 2.714897 1.902040
H  -0.637675 2.673967 -0.340727
25
4C1_2-3 transition_state zpe=-849.304158
O -2.497859 0.548511 -0.378330
O -1.266498 -1.920059 0.036822
O 1.447659 -1.857306 0.782143
H 1.595261 0.809571 1.125426
O 0.963029 1.521027 -0.719862
H -0.845848 0.328513 -1.683464
C -0.335175 1.515309 -0.822608
C -1.212555 0.421445 -0.477643
C -0.527169 -0.713267 0.279581
C 0.942490 -0.868320 -0.089476
C 1.645146 0.487693 0.082525
H -2.303361 2.213487 1.026614
H -0.587855 -0.463659 1.345456
H -0.747581 -2.651406 0.400762
H 1.029762 -1.190954 -1.138618
H 2.414777 -1.880306 0.705838
C 3.084073 0.515571 -0.429622
H 3.526640 1.491937 -0.211261
H 3.083827 0.363353 -1.515653
O 3.773682 -0.536247 0.240129
H 4.715960 -0.496112 0.046852
Na -3.515223 -1.374904 -0.212687
O -1.465667 2.578151 1.347789
H -1.677054 3.387199 1.823987
H -0.752705 2.389115 -1.312450
25
4C1_2-3 local_minima zpe= -849.364281
O 1.348746 2.253267 0.264270
O  -2.759166 -0.183550 -0.121309
C  2.898392 -0.344859 0.096612
O  3.095596 0.026873 1.461289
O  0.724579 -1.389731 0.084341
O  -1.390923 2.143092 0.720722
C  -0.637070 -1.428130 -0.234853
C  -1.400297 -0.229577 0.358360
C  -0.681815 1.076788 0.048904
C  0.761214 0.984262 0.512169
C  1.426667 -0.170895 -0.254822
H  0.796669 0.749921 1.580548
H  1.343713 -0.000013 -1.333353
H  2.158645 2.318684 0.786021
H  -0.773618 2.886614 0.790729
H  -2.756003 -0.573408 -1.010058
H  3.175132 -1.387840 -0.083458
H  3.496061 0.293997 -0.563330
H  -1.456487 -0.359403 1.441851
H  -0.703248 1.274726 -1.028761
H  3.963109 -0.268092 1.754882
H  -1.003189 -2.364637 0.192634
O  -0.902871 -1.375506 -1.627935
H  -0.627504 -2.199991 -2.046612
Na  -3.613257 1.788519 0.632747
25
4C1_2-3 transition_state zpe=-849.304404
O 1.382209 -1.875237 1.062604
O -2.413106 0.591892 -0.498847
C 3.133832 0.420125 0.204802
O 3.448387 -0.472225 -0.858080
O 1.098813 1.416079 -0.640124
O -1.304591 -1.898330 0.109940
C -0.183596 1.442653 -0.856634
C -1.130559 0.414296 -0.488784
C -0.554691 -0.704299 0.383531
C 0.935429 -0.892033 0.145201
C 1.627355 0.461956 0.364172
H 1.116440 -1.217812 -0.884075
H 1.372246 0.882898 1.339925
H 2.208198 -2.255739 0.738901
H -0.842493 -2.631184 0.540405
H -2.251849 2.312171 0.808342
H 3.494417 1.435372 0.011139
H 3.566173 0.076194 1.151700
H -0.673740 0.216566 -1.654337
H -0.715553 -0.412055 1.428164
H 4.371697 -0.369601 -1.109923
H -0.529276 2.279235 -1.455905
O -1.439372 2.674622 1.191787
H -1.671697 3.519514 1.589431
Na -3.508173 -1.289651 -0.359612
25
5S1_2-3 local_minima zpe= -849.350886
O 1.004759 0.694520 2.181036
O 1.487877 2.288749 -0.132701
O -1.031906 1.445473 -1.532994
O -1.800315 0.171792 1.739057
O 0.842548 -1.223833 0.806034
O -0.292457 -1.174285 -2.049414
C 1.375666 0.058527 0.956112
C 0.893376 0.972603 -0.161315
C -0.636964 1.102844 -0.186166
C -1.373824 -0.118094 0.421049
C -0.534529 -1.407107 0.368719
C -0.563928 -2.109821 -0.981239
H 1.477995 0.283161 2.915403
H 1.597225 2.550469 0.792869
H -0.973474 0.617474 -2.047161
H -1.019480 0.349161 2.283770
H -0.182105 -1.663039 -2.872206
H 2.459900 -0.070071 0.922838
H 1.220250 0.514885 -1.095532
H -0.938768 1.954166 0.427163
H -2.290653 -0.279956 -0.150476
H -0.972674 -2.101226 1.089802
H 0.185802 -2.904518 -0.982245
H -1.556029 -2.552004 -1.121982
Na 0.261707 3.320129 -1.830421
25
5S1_2-3 transition_state zpe= -849.298801
O -0.909417 2.469100 -0.077882
O -2.112155 0.459071 -0.815564
O -0.775333 -1.782631 0.863660
O 0.816230 1.232588 2.022223
O 1.399428 1.118710 -0.953010
O 1.565608 -1.930887 -0.806054
C 0.147277 1.109164 -1.223152
C -0.800764 0.056360 -0.718607
C -0.455232 -0.391472 0.731873
C 0.933283 0.051542 1.249950
C 1.965044 0.262026 0.138102
C 2.586230 -0.982794 -0.464190
H -1.026575 3.349532 -0.456143
H -1.718607 1.855722 -0.331203
H -0.084013 -2.282635 0.400156
H 0.283289 1.888615 1.546397
H 1.963713 -2.665883 -1.286058
H -0.108364 1.660579 -2.123512
H -0.550651 -0.792507 -1.387224
H -1.163645 0.115910 1.387869
H 1.324020 -0.714348 1.925184
H 2.766865 0.889030 0.525913
H 3.172672 -0.708566 -1.346059
H 3.265107 -1.400589 0.288183
Na -3.113974 -1.304675 0.06415