%chk=000180172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180172

0 1
O -0.883776 1.786304 -0.253443
O -2.548804 2.936354 -1.298979
O 3.813438 -0.170122 0.174194
N -2.932683 0.779533 -0.473231
C -4.393434 0.764548 -0.865571
C -2.384682 -0.378502 0.195347
C -5.134695 1.896667 -0.152289
C -4.522509 0.870444 -2.385506
C -2.180044 1.924536 -0.731434
C -2.652166 -1.659973 -0.315102
C -1.606160 -0.228664 1.358421
C -1.392771 -2.645781 1.516963
C -2.161608 -2.784169 0.352257
C -1.114511 -1.357900 2.008013
C -0.009507 2.940794 -0.497318
C 1.287486 2.548990 0.154304
C -0.862526 -3.844545 2.232982
C 1.878680 1.322702 -0.179379
C 1.899566 3.409687 1.074519
C 3.080088 0.979116 0.444983
C 3.114543 3.045137 1.669960
C 3.717695 1.825838 1.369823
C 3.202305 -1.287838 -0.405167
C 1.933118 -1.749559 -0.044375
C 4.031563 -1.973208 -1.305741
C 1.480578 -2.938838 -0.623341
C 3.557840 -3.163451 -1.858621
C 2.285284 -3.644174 -1.524123
H -4.809350 -0.219439 -0.518283
H -4.764264 2.885054 -0.470893
H -5.016396 1.841498 0.935434
H -6.206356 1.867736 -0.375155
H -5.569664 0.810066 -2.699283
H -4.128839 1.833029 -2.752854
H -3.967929 0.080159 -2.902226
H -3.229441 -1.782854 -1.229957
H -1.372189 0.769633 1.735391
H -2.380321 -3.775265 -0.042227
H -0.511974 -1.239780 2.908205
H 0.083300 3.076509 -1.591728
H -0.488766 3.834052 -0.057538
H 0.236385 -3.824613 2.286787
H -1.235275 -3.887899 3.266913
H -1.144811 -4.789613 1.752139
H 1.396654 0.663411 -0.901273
H 1.437460 4.359583 1.332789
H 3.590229 3.720811 2.381624
H 4.657137 1.520597 1.824843
H 1.311444 -1.204919 0.665880
H 5.013800 -1.576245 -1.551109
H 0.488083 -3.313679 -0.366345
H 4.181856 -3.718028 -2.559114
H 1.922419 -4.568431 -1.967763


%chk=000180172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180172

0 1
O -0.887199 1.776114 -0.210873
O -2.624908 2.997359 -1.197812
O 4.029076 -0.052402 -0.098977
N -2.992283 0.818780 -0.375045
C -4.440251 0.828474 -0.809750
C -2.483387 -0.365008 0.284275
C -5.244994 1.916970 -0.063630
C -4.586298 0.932274 -2.344266
C -2.219287 1.942430 -0.635616
C -2.722229 -1.638874 -0.287197
C -1.800733 -0.288972 1.524928
C -1.596584 -2.748787 1.606029
C -2.287976 -2.811027 0.370922
C -1.359420 -1.463936 2.164465
C 0.012038 2.930455 -0.521114
C 1.362531 2.601334 0.072527
C -1.117946 -4.005825 2.311771
C 2.023153 1.409784 -0.315100
C 1.972885 3.474284 1.003995
C 3.272538 1.089654 0.256431
C 3.242523 3.156960 1.542906
C 3.895515 1.962210 1.179554
C 3.420733 -1.245935 -0.569973
C 2.168236 -1.717979 -0.111040
C 4.200376 -2.004972 -1.470863
C 1.692873 -2.961357 -0.585660
C 3.715672 -3.249530 -1.927592
C 2.458265 -3.731033 -1.492065
H -4.823761 -0.155463 -0.484699
H -4.909370 2.923036 -0.361309
H -5.129085 1.808744 1.029864
H -6.318157 1.814858 -0.308498
H -5.652021 0.839420 -2.622650
H -4.214027 1.905083 -2.703737
H -4.024293 0.129003 -2.854655
H -3.230645 -1.715788 -1.254558
H -1.603902 0.688783 1.972472
H -2.485427 -3.786834 -0.089307
H -0.831858 -1.383451 3.123066
H 0.045964 3.046169 -1.620567
H -0.418935 3.851896 -0.092743
H -0.015261 -4.020792 2.406063
H -1.530036 -4.074506 3.335911
H -1.420629 -4.916633 1.766839
H 1.549433 0.740944 -1.039502
H 1.459740 4.393040 1.309462
H 3.718581 3.836013 2.258352
H 4.871655 1.689549 1.591332
H 1.571129 -1.137404 0.598604
H 5.168427 -1.610948 -1.794570
H 0.715431 -3.318461 -0.243357
H 4.318975 -3.839113 -2.626691
H 2.080654 -4.693293 -1.853951


