%chk=000180229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180229

0 1
O -1.530080 -1.222773 -1.086508
O 1.245421 -2.167491 -0.520958
O 3.810971 1.636488 0.865259
O 2.830107 -2.399979 1.078128
C -1.758231 -0.302326 0.045720
C -0.753729 0.883712 0.023414
C -0.970876 -1.586481 0.214316
C -3.242198 -0.033308 0.297564
C 0.607224 0.188900 -0.369450
C 0.512129 -1.213019 0.297897
C -1.255222 1.892399 -1.022051
C -3.659327 1.079317 -0.705420
C -2.713358 2.287628 -0.737510
C -0.611761 1.528554 1.404116
C -3.501118 0.387669 1.749924
C -4.063162 -1.303338 0.003246
C 1.824579 0.958461 -0.017238
C 2.179019 2.241427 -0.594297
C 2.837452 0.632634 0.852979
C 2.416314 -2.693962 -0.020764
C 3.372616 2.609785 -0.036070
C 2.996691 -3.617005 -1.031347
H -1.320802 -2.520972 0.629013
H 0.607358 0.018944 -1.482741
H 0.893965 -1.241671 1.340403
H -1.181642 1.444880 -2.033851
H -0.611418 2.790327 -1.031781
H -4.685221 1.416692 -0.471515
H -3.706942 0.634097 -1.720757
H -2.772730 2.839829 0.220433
H -3.057615 2.997010 -1.515129
H 0.145415 2.323658 1.389232
H -1.554255 1.985035 1.741556
H -0.304620 0.804368 2.165645
H -3.089657 -0.338551 2.458615
H -3.051249 1.365103 1.978653
H -4.574735 0.471330 1.950907
H -3.891408 -2.080085 0.754396
H -5.136307 -1.093477 -0.014946
H -3.787821 -1.732982 -0.971730
H 1.596104 2.769616 -1.322221
H 3.073062 -0.193355 1.494929
H 4.038854 3.438281 -0.117642
H 2.344194 -3.737732 -1.912841
H 3.171132 -4.614492 -0.598330
H 3.969875 -3.241345 -1.387446


%chk=000180229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180229

0 1
O -1.532163 -1.090162 -1.273646
O 1.314042 -2.151680 -0.581703
O 3.875423 1.630245 0.760512
O 2.646859 -2.577675 1.293532
C -1.772468 -0.261064 0.000461
C -0.771657 0.930552 0.056670
C -0.989208 -1.538010 0.063706
C -3.270875 -0.050582 0.280312
C 0.582806 0.236851 -0.419595
C 0.483692 -1.188211 0.192278
C -1.292610 2.032405 -0.902567
C -3.700802 1.123047 -0.667335
C -2.780623 2.370639 -0.612225
C -0.583088 1.481109 1.496378
C -3.576082 0.282639 1.768767
C -4.088295 -1.318634 -0.084983
C 1.859428 0.977618 -0.122288
C 2.310697 2.183335 -0.803043
C 2.837525 0.678805 0.815400
C 2.377172 -2.774388 0.085207
C 3.521226 2.546818 -0.245443
C 3.134660 -3.673107 -0.864490
H -1.373835 -2.494794 0.428384
H 0.495143 0.100629 -1.513808
H 0.807942 -1.230029 1.249408
H -1.202733 1.667100 -1.945270
H -0.672284 2.945215 -0.812880
H -4.741007 1.414834 -0.421037
H -3.710156 0.732925 -1.704826
H -2.870399 2.865110 0.374995
H -3.135991 3.110432 -1.355376
H 0.324076 2.108983 1.530212
H -1.429408 2.106329 1.819167
H -0.457197 0.672703 2.240292
H -3.107941 -0.453633 2.448334
H -3.240771 1.286714 2.070183
H -4.669467 0.237767 1.927508
H -3.888677 -2.145295 0.623276
H -5.168314 -1.087126 -0.030659
H -3.846977 -1.667430 -1.101853
H 1.796190 2.695829 -1.614456
H 2.977898 -0.128579 1.529779
H 4.228176 3.352945 -0.417876
H 2.439571 -4.224924 -1.517254
H 3.766599 -4.369430 -0.294261
H 3.780901 -3.055025 -1.514083


