25
4C1_0-4-6 local_minima zpe= -849.371148 
O 0.447531 -1.314738 -1.635574
O  -1.981069 -1.950057 -0.451118
O  -2.741034 0.743875 0.463262
O  -0.510456 1.391140 1.817619
O  1.224405 -0.285026 0.330509
O  2.399932 1.937337 1.573775
C  0.368416 -1.296204 -0.240115
C  -1.095987 -1.022540 0.139833
C  -1.511846 0.428039 -0.170199
C  -0.487851 1.430721 0.377881
C  0.899622 1.047139 -0.139469
C  2.067942 1.971178 0.172726
H  1.231180 -1.794863 -1.927566
H  -1.773004 -2.020653 -1.392695
H  -3.401476 0.079087 0.229885
H  -1.442147 1.462314 2.075043
H  3.106602 2.567145 1.749106
H  0.717688 -2.235182 0.194940
H  -1.195211 -1.173929 1.217820
H  -1.588500 0.563112 -1.256688
H  -0.745857 2.440238 0.040553
H  0.832995 1.024944 -1.232558
H  2.932454 1.645318 -0.412226
H  1.796614 2.987878 -0.127427
Na  1.307555 0.340235 2.685249
25
4C1_0-4-6 transition_state zpe= -849.286104
O 1.908233 -2.115940 0.194659
O 2.986414 0.180873 -0.761561
O 2.060058 2.468725 0.626524
O -0.968452 1.526963 -0.159195
O -0.266474 -1.467632 -0.395344
O -2.890642 -0.788423 -0.174595
C 1.103042 -1.405920 -0.710774
C 1.587708 0.080942 -0.625372
C 1.069125 0.596764 0.676388
C -0.331469 0.915225 0.796877
C -0.617121 -0.876978 0.827444
C -2.129002 -1.050045 1.009057
H 1.911095 -3.056716 -0.017885
H 3.399658 -0.541570 -0.267427
H 2.836032 2.323963 0.063729
H 1.472972 3.075307 0.154911
H -2.717343 -1.503800 -0.797779
H 1.198172 -1.787579 -1.728370
H 1.132462 0.629867 -1.449412
H 1.615116 0.334758 1.576392
H -0.615738 1.150909 1.838802
H -0.104259 -1.337593 1.675138
H -2.316340 -2.078156 1.336258
H -2.497045 -0.380575 1.786270
Na -2.912870 1.379521 -0.968750
25
4C1_0-4-6 local_minima zpe= -849.368643
O 0.904250 -1.239188 -1.632770
O  -1.430491 -2.153505 -0.615053
O  -2.569017 0.290550 0.607743
O  -0.337541 1.237890 1.891523
O  1.478739 -0.218437 0.327130
O  2.485738 2.089609 1.560178
C  0.731444 -1.287787 -0.246216
C  -0.753563 -1.175501 0.152573
C  -1.319283 0.232737 -0.087240
C  -0.372490 1.320297 0.454664
C  1.026350 1.079906 -0.120232
C  2.117202 2.100101 0.167344
H  0.244553 -1.816949 -2.042368
H  -2.347332 -2.221313 -0.324540
H  -3.205272 0.823780 0.118593
H  -1.258461 1.193150 2.188594
H  3.130911 2.784950 1.725186
H  1.168125 -2.199070 0.174168
H  -0.838825 -1.401725 1.222611
H  -1.463397 0.379501 -1.161793
H  -0.731354 2.312433 0.156582
H  0.929956 1.058936 -1.210493
H  2.989144 1.848873 -0.442086
H  1.753372 3.091411 -0.119253
Na  1.631474 0.335420 2.650445
25
4C1_0-4-6 transition_state zpe= -849.285729
O 1.838966 -2.216855 0.169204
O 3.088773 0.075016 -0.546955
O 1.538358 2.754091 0.280894
O -0.926619 1.496730 0.007807
O -0.186035 -1.416339 -0.488212
O -2.836111 -0.870598 -0.263763
C 1.186604 -1.366326 -0.720260
C 1.682369 0.139421 -0.527138
C 1.118522 0.552092 0.767404
C -0.299076 0.762166 0.911092
C -0.581810 -0.973109 0.773331
C -2.091895 -1.200666 0.912975
H 2.794755 -2.108859 0.065057
H 3.447592 0.965458 -0.641882
H 1.666026 3.430718 0.956790
H 0.585491 2.756868 0.045226
H -2.695825 -1.572982 -0.909586
H 1.345390 -1.650784 -1.763635
H 1.272255 0.715811 -1.357663
H 1.721985 0.344208 1.648010
H -0.594754 0.918181 1.963818
H -0.065924 -1.495550 1.581266
H -2.251611 -2.254728 1.159258
H -2.491210 -0.600807 1.730643
Na -2.814648 1.317695 -0.950320
25
4C1_0-4-6 local_minima zpe= -849.368534
O 1.026501 -1.212765 1.853643
O  1.114584 1.477828 2.439340
O  -0.886410 2.590146 0.567759
O  -0.249267 1.250788 -1.681966
O  1.098054 -0.846592 -0.404954
O  -0.032224 -1.449309 -2.909347
C  1.502631 -0.344948 0.868511
C  0.973899 1.095733 1.071252
C  -0.519600 1.228761 0.731529
C  -0.866676 0.537071 -0.592142
C  -0.341993 -0.898448 -0.545389
C  -0.690058 -1.839976 -1.688062
H  0.992027 -0.730989 2.692866
H  1.968827 1.895785 2.594414
H  -0.813718 3.052304 1.410807
H  -0.504987 2.179488 -1.587875
H  -0.289368 -2.051399 -3.615109
H  2.598475 -0.356744 0.831665
H  1.536064 1.774102 0.421188
H  -1.105573 0.762945 1.532462
H  -1.953007 0.540035 -0.727234
H  -0.759951 -1.368025 0.350545
H  -0.370618 -2.847501 -1.409018
H  -1.775674 -1.833300 -1.825794
Na  1.518061 0.115011 -2.569091
25
4C1_0-4-6 transition_state zpe= -849.282098
O 1.879788 -2.181605 0.221378
O 3.125191 0.052967 -0.566544
O 1.313572 2.895386 0.520289
O -0.941734 1.445319 -0.116848
O -0.152015 -1.429540 -0.456791
O -2.820680 -0.948805 -0.214941
C 1.212845 -1.374167 -0.693844
C 1.718223 0.153977 -0.563555
C 1.139008 0.618184 0.699240
C -0.293560 0.775783 0.827789
C -0.547708 -0.936004 0.791324
C -2.048166 -1.204761 0.962155
H 2.834039 -2.079677 0.099102
H 3.527812 0.895435 -0.801866
H 1.849174 3.543768 0.049686
H 0.434001 2.859877 0.092839
H -2.667005 -1.672184 -0.833813
H 1.376763 -1.687030 -1.728360
H 1.319291 0.685695 -1.428521
H 1.741312 0.487504 1.594628
H -0.579459 1.003117 1.870304
H -0.010466 -1.414439 1.612862
H -2.172394 -2.251058 1.256399
H -2.452510 -0.581499 1.759803
Na -2.865217 1.212968 -0.979459
25
4C1_2-3 local_minima zpe= -849.366809
O 0.310703 -1.483682 -1.556171
O  -1.798750 -2.153656 -0.021850
O  -2.785158 0.421121 0.704243
O  -0.616437 1.521555 1.743025
O  1.303871 -0.168753 0.133924
O  1.988559 2.286877 1.540210
C  0.490268 -1.269909 -0.165763
C  -0.922496 -1.085914 0.402944
C  -1.531695 0.259124 0.000989
C  -0.582043 1.410035 0.326677
C  0.804571 1.119851 -0.272047
C  1.861746 2.147663 0.122464
H  1.130154 -1.807402 -1.949407
H  -1.476241 -2.456178 -0.884955
H  -2.587444 0.953787 1.492615
H  0.196683 1.966786 2.042424
H  2.571997 1.597343 1.875778
H  0.986617 -2.126671 0.296502
H  -0.859865 -1.137843 1.490610
H  -1.764612 0.256621 -1.066359
H  -0.959163 2.333488 -0.135054
H  0.704654 1.140798 -1.364946
H  2.818675 1.876719 -0.330841
H  1.568951 3.127935 -0.259604
Na  -3.915128 -1.541996 0.590217
25
4C1_2-3 transition_state zpe=-849.307911
O -1.387165 2.792886 0.793093
O -2.337305 0.548065 -0.648958
O -1.366021 -1.820352 0.583046
O 1.087434 -1.722201 -0.466244
O 1.212215 1.187736 -0.723875
O 3.537534 -0.635129 -0.393339
C -0.052436 1.213375 -1.025748
C -1.062076 0.322993 -0.511430
C -0.627306 -0.591542 0.647169
C 0.879905 -0.849403 0.632758
C 1.617687 0.488838 0.510582
C 3.132482 0.399735 0.500674
H -1.633794 3.700023 0.998170
H -2.149140 2.387332 0.349334
H -0.812650 -2.455433 0.100963
H 2.039985 -1.778474 -0.649600
H 4.493481 -0.630374 -0.506654
H -0.315838 1.901795 -1.823935
H -0.552956 -0.170422 -1.537220
H -0.920213 -0.091160 1.572703
H 1.187400 -1.321991 1.575456
H 1.317326 1.144264 1.333933
H 3.540396 1.369408 0.199469
H 3.463113 0.183588 1.523675
Na -3.541835 -1.177323 -0.073646
25
4C1_3-4 local_minima zpe= -849.37009 
O 0.459214 -1.487406 -1.564667
O  -1.747892 -2.089115 -0.010163
O  -2.697080 0.552319 0.426122
O  -0.523884 1.728937 1.551460
O  1.387746 -0.158693 0.143033
O  2.076055 2.270319 1.475637
C  0.565381 -1.266237 -0.176075
C  -0.862060 -1.039517 0.336855
C  -1.408951 0.295502 -0.176983
C  -0.470565 1.458283 0.134569
C  0.944671 1.107012 -0.362558
C  2.000991 2.128911 0.047546
H  1.260612 -1.906990 -1.898575
H  -1.539577 -2.373735 -0.911250
H  -3.259909 -0.205268 0.212536
H  0.373282 2.014131 1.832489
H  2.647070 1.578619 1.829222
H  1.028506 -2.117233 0.327343
H  -0.822934 -1.013004 1.427926
H  -1.535505 0.240874 -1.262831
H  -0.807990 2.352980 -0.403696
H  0.906511 1.076301 -1.458706
H  2.970765 1.837067 -0.360483
H  1.742265 3.112646 -0.348754
Na  -2.599226 1.759589 2.333661
25
4C1_3-4 transition_state zpe= -849.286972
O 2.089952 -1.978387 0.408636
O 2.864657 0.537455 -0.431868
O 0.936115 2.089764 0.766445
O -1.384312 1.032906 -0.272447
O 0.025493 -1.796887 -0.703512
O -3.477283 -0.452634 -0.272756
C 1.386353 -1.395544 -0.663467
C 1.509022 0.121195 -0.498311
C 0.757888 0.653801 0.730158
C -0.759588 0.408407 0.676244
C -0.718795 -1.483933 0.434420
C -2.022438 -1.975646 0.430581
H 2.303538 -2.897580 0.208849
H 3.351604 -0.104582 0.103935
H 1.891834 2.245823 0.732241
H -2.822478 0.285090 -0.409026
H -3.859547 -0.664384 -1.132670
H 1.793344 -1.707872 -1.626554
H 1.083525 0.584961 -1.390762
H 1.172676 0.223587 1.647091
H -1.230024 0.398999 1.670447
H -0.196021 -1.654980 1.379329
H -2.385172 -2.575798 -0.392137
H -2.603781 -1.962847 1.340669
Na -0.713737 3.127470 -0.431377
25
4C1_3-4 local_minima zpe= -849.366589
O 0.485076 -1.598625 -1.511954
O  -2.052312 -1.702768 -0.230152
O  -2.559628 1.000532 -0.134725
O  -0.413262 1.973330 1.193393
O  1.347059 -0.345064 0.276773
O  2.219425 2.062871 1.531892
C  0.414386 -1.340154 -0.141602
C  -1.006216 -0.846974 0.194906
C  -1.262231 0.482797 -0.508416
C  -0.197918 1.521715 -0.162270
C  1.201258 0.917805 -0.383802
C  2.332739 1.807078 0.122008
H  1.258065 -2.140855 -1.706198
H  -2.011447 -2.552093 0.222325
H  -3.209521 0.334513 -0.397701
H  0.467696 2.127528 1.600039
H  2.589477 1.314420 2.014228
H  0.673411 -2.221070 0.453267
H  -1.039926 -0.695383 1.280576
H  -1.250780 0.313540 -1.588568
H  -0.305932 2.382912 -0.833164
H  1.329282 0.786185 -1.465479
H  3.293860 1.342278 -0.106889
H  2.293598 2.779436 -0.372566
Na  -2.539856 2.435411 1.599598
25
4C1_3-4 transition_state zpe= -849.283383
O 1.989881 -2.029813 0.519637
O 2.854988 0.517388 -0.406046
O 0.992517 2.061012 0.744272
O -1.353271 1.061797 -0.253545
O 0.003346 -1.810852 -0.708418
O -3.484954 -0.368185 -0.323200
C 1.387592 -1.463872 -0.604215
C 1.513980 0.065946 -0.522679
C 0.798091 0.626909 0.708479
C -0.727231 0.409079 0.675820
C -0.747844 -1.480699 0.417484
C -2.064703 -1.933029 0.404930
H 2.194239 -2.957730 0.356332
H 3.354546 0.329370 -1.207750
H 1.949587 2.206087 0.748243
H -2.804891 0.351663 -0.423465
H -3.838066 -0.556642 -1.200652
H 1.823271 -1.836633 -1.534979
H 1.037479 0.473280 -1.422218
H 1.227543 0.190654 1.614112
H -1.177211 0.405128 1.679350
H -0.239652 -1.666637 1.367870
H -2.441793 -2.524011 -0.417926
H -2.654880 -1.892093 1.308516
Na -0.673595 3.152797 -0.357087
25
4C1_4-6 local_minima zpe= -849.348791
O 0.910809 -1.192291 -1.572910
O  -1.511551 -2.039258 -0.699968
O  -2.730268 0.506062 0.165672
O  -0.541958 1.422315 1.821423
O  1.358894 -0.130986 0.404468
O  2.261112 2.282013 1.715810
C  0.647752 -1.205986 -0.197972
C  -0.862719 -1.063171 0.090109
C  -1.378308 0.354302 -0.227917
C  -0.457234 1.429867 0.364400
C  0.976546 1.153278 -0.105066
C  2.050489 2.158035 0.287245
H  0.261486 -1.763835 -2.007745
H  -2.467797 -1.920590 -0.639724
H  -2.775271 0.571584 1.127787
H  -0.119931 0.597766 2.105563
H  2.935951 1.646915 1.979173
H  1.045513 -2.107672 0.276014
H  -1.021706 -1.277594 1.158828
H  -1.376454 0.479821 -1.313766
H  -0.808889 2.417298 0.056349
H  0.974944 1.127148 -1.201041
H  2.990867 1.875780 -0.188357
H  1.775188 3.150839 -0.077055
Na  0.560704 3.073220 2.967498
25
4C1_4-6 transition_state zpe= -849.285732
O 1.837113 -2.218086 0.168687
O 3.088491 0.072758 -0.547284
O 1.541270 2.752769 0.281406
O -0.925798 1.497917 0.008535
O -0.187505 -1.415959 -0.488191
O -2.837395 -0.868676 -0.262567
C 1.185167 -1.366938 -0.720507
C 1.682118 0.138305 -0.527290
C 1.118918 0.551498 0.767332
C -0.298535 0.762869 0.911505
C -0.582565 -0.972671 0.773492
C -2.092818 -1.198710 0.913955
H 2.792952 -2.110212 0.064838
H 3.448031 0.962927 -0.642043
H 1.670108 3.429208 0.957274
H 0.588358 2.756961 0.045868
H -2.702387 -1.573861 -0.906412
H 1.343473 -1.651429 -1.763944
H 1.272466 0.715168 -1.357720
H 1.722263 0.343474 1.647986
H -0.593910 0.919019 1.964286
H -0.066819 -1.495713 1.581126
H -2.253556 -2.252423 1.160991
H -2.490917 -0.597911 1.731542
Na -2.812107 1.318444 -0.952674