%chk=000270732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270732

0 1
O -1.085324 -3.445101 1.741456
O 1.159973 -1.095933 0.338982
O -0.513719 -1.238059 2.213240
O -2.678868 -1.754213 -0.359025
O 1.346991 -5.178451 -0.058333
O 2.828656 -1.096705 1.876385
O -3.903736 -1.188103 1.467806
O 3.290841 5.701252 -0.061379
O 3.087749 5.004403 -2.102197
O -2.368858 5.243557 -1.242030
O -0.326490 4.686648 -0.790339
N 0.414307 -3.706846 -1.510698
N 3.083312 4.839279 -0.895629
N -1.520993 4.448421 -0.880172
C -0.180746 -2.887188 -0.438936
C 0.816795 -2.468878 0.673781
C -1.308824 -3.646503 0.322889
C 0.002682 -2.547739 1.988661
C -2.724489 -3.169121 -0.014128
C 0.218891 -3.225270 -2.897584
C 1.181910 -4.851974 -1.223178
C 2.209746 -0.510512 1.026437
C -1.369196 -1.126651 3.375968
C 1.751849 -5.613707 -2.381248
C -3.206589 -0.852951 0.544728
C 2.399023 0.878029 0.515978
C -2.778650 0.519984 0.141374
C 2.711480 1.891942 1.432611
C 2.292985 1.150686 -0.855318
C 2.923512 3.194202 0.974254
C 2.512763 2.448509 -1.320479
C -3.729572 1.446227 -0.306822
C -1.425601 0.862392 0.260332
C 2.829205 3.456210 -0.399064
C -3.321575 2.738402 -0.644723
C -1.014356 2.154078 -0.067906
C -1.966318 3.077579 -0.522130
H -0.600650 -1.939442 -0.893025
H 1.746542 -3.079994 0.727063
H -1.232488 -4.754603 0.205174
H 0.515281 -2.945688 2.883390
H -3.120974 -3.639896 -0.930511
H -3.413537 -3.333411 0.841386
H -0.484982 -2.375147 -2.928785
H -0.202934 -4.022428 -3.533797
H 1.172722 -2.887665 -3.338441
H -2.258494 -1.756310 3.235686
H -0.819684 -1.399850 4.279908
H -1.637269 -0.064554 3.377784
H 2.440609 -5.009253 -2.986424
H 2.328648 -6.478005 -2.005941
H 0.975781 -6.013260 -3.047382
H 2.797066 1.661408 2.499010
H 2.038689 0.348431 -1.552342
H 3.164846 4.005871 1.671706
H 2.442191 2.687630 -2.388259
H -4.782074 1.165077 -0.386239
H -0.693944 0.115693 0.621926
H -4.043530 3.483401 -0.997932
H 0.036722 2.450103 0.026183


%chk=000270732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270732

0 1
O -0.987456 -2.952834 1.992900
O 1.781715 -1.133550 0.361594
O -0.378959 -0.599057 1.963279
O -2.758432 -1.736966 -0.072461
O 1.250816 -5.119886 -0.062394
O 2.977702 -1.139336 2.362512
O -5.023146 -2.060957 -0.523129
O 6.671494 4.316402 -0.167499
O 5.363891 4.320124 -2.036905
O -5.513713 4.986279 -0.921490
O -3.357689 5.157644 -0.196578
N 0.498510 -3.378809 -1.398270
N 5.706212 3.850142 -0.884964
N -4.395766 4.470429 -0.536038
C -0.035250 -2.656515 -0.224898
C 0.990131 -2.276355 0.864637
C -1.131444 -3.418360 0.580402
C 0.095793 -1.961896 2.084329
C -2.558853 -3.197569 0.097597
C 0.411349 -2.664100 -2.687540
C 1.154259 -4.597839 -1.221112
C 2.757367 -0.644345 1.231633
C -1.131578 -0.163590 3.153492
C 1.743489 -5.285757 -2.448667
C -4.049777 -1.291804 -0.339523
C 3.496374 0.517415 0.649538
C -4.104310 0.202854 -0.380568
C 4.569724 1.061974 1.401593
C 3.149359 1.077239 -0.607468
C 5.300455 2.156213 0.905196
C 3.871522 2.172774 -1.115927
C -5.318252 0.813138 -0.788861
C -2.985601 0.997961 -0.013244
C 4.937673 2.692669 -0.349729
C -5.422599 2.214784 -0.843193
C -3.080004 2.401688 -0.063107
C -4.296322 2.985892 -0.480206
H -0.468133 -1.710442 -0.592199
H 1.659088 -3.116337 1.109479
H -0.915308 -4.500791 0.582278
H 0.580284 -2.121725 3.063025
H -2.735525 -3.701822 -0.871329
H -3.286734 -3.579693 0.834067
H -0.624796 -2.322936 -2.865237
H 0.697836 -3.322529 -3.519219
H 1.075976 -1.778834 -2.695849
H -2.039444 -0.778933 3.288267
H -0.496730 -0.229434 4.059398
H -1.408468 0.886096 2.971947
H 2.503295 -4.660190 -2.951210
H 2.223073 -6.213548 -2.104502
H 0.967392 -5.545760 -3.191891
H 4.812687 0.613164 2.369611
H 2.313707 0.652235 -1.168546
H 6.132497 2.596680 1.460001
H 3.629651 2.629592 -2.078796
H -6.164929 0.173104 -1.055827
H -2.063469 0.509772 0.318498
H -6.342046 2.716128 -1.155335
H -2.241283 3.046106 0.212138


