%chk=000188976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188976

0 1
O 0.296218 -0.714480 1.365987
O 1.172156 3.724888 1.340658
O -1.700496 -2.640802 1.118095
O 4.047108 -2.532364 -0.966520
O 6.071274 -0.470509 -1.215322
O -8.115266 0.108421 -0.996404
C 0.220060 1.610748 0.581782
C 1.086908 0.539836 1.317930
C -1.061213 0.871758 0.306945
C -0.925290 -0.449398 0.770231
C 0.019217 2.877857 1.421130
C 2.397903 0.262351 0.630357
C -2.232763 1.287294 -0.314532
C -1.967697 -1.386419 0.625681
C -3.283386 0.361679 -0.454162
C 2.681373 -1.003646 0.112382
C -3.151592 -0.961475 0.008842
C 3.340629 1.296839 0.535986
C 3.917525 -1.245861 -0.508071
C 4.573597 1.070159 -0.077975
C -4.528016 0.798784 -1.110452
C 4.864711 -0.195116 -0.598744
C -2.739149 -3.641834 0.979779
C -5.749867 0.482210 -0.669809
C -7.008991 0.961638 -1.326989
C 5.289428 -2.897349 -1.622327
H 0.701951 1.902035 -0.388096
H 1.242567 0.770651 2.395486
H -0.198038 2.657682 2.481544
H -0.784596 3.520098 1.009365
H -2.335977 2.304815 -0.681353
H 1.946419 -1.813194 0.187699
H -3.977597 -1.654559 -0.126060
H 3.110860 2.289038 0.933165
H 1.986246 3.233685 1.602411
H 5.302721 1.873570 -0.152592
H -4.380716 1.426219 -1.994100
H -2.955010 -3.825561 -0.076283
H -3.631559 -3.346121 1.538001
H -2.258881 -4.516106 1.440540
H -5.913818 -0.128573 0.221428
H 6.653449 0.329643 -1.227258
H -7.330985 1.942735 -0.915973
H -6.928559 1.035262 -2.427257
H 6.128935 -2.779753 -0.929476
H 5.433720 -2.287270 -2.519902
H 5.109461 -3.949652 -1.869326
H -7.960473 -0.796049 -1.334539


%chk=000188976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188976

0 1
O 0.380446 -0.585744 1.594345
O 1.289271 3.738937 1.861518
O -1.654497 -2.548269 1.521095
O 4.314063 -2.654762 -0.557012
O 6.057784 -0.544074 -1.488773
O -7.309780 -0.132885 -2.861224
C 0.254545 1.742280 0.758157
C 1.205263 0.663607 1.397860
C -1.033297 0.962550 0.523250
C -0.876572 -0.336441 1.035084
C 0.045054 2.972300 1.674527
C 2.455833 0.340661 0.587962
C -2.244479 1.353681 -0.073098
C -1.926662 -1.289090 0.978624
C -3.319771 0.424253 -0.151036
C 2.829343 -0.992753 0.313494
C -3.142540 -0.888924 0.383034
C 3.284501 1.399099 0.137165
C 4.010413 -1.293829 -0.401849
C 4.471483 1.110127 -0.566218
C -4.578637 0.852176 -0.786674
C 4.851214 -0.225640 -0.829168
C -2.724208 -3.548037 1.462541
C -5.715773 0.119436 -0.981347
C -6.945266 0.661587 -1.662246
C 4.768054 -3.125757 -1.882552
H 0.685365 2.102919 -0.193453
H 1.494430 0.958786 2.427924
H -0.385895 2.657810 2.648051
H -0.649157 3.683370 1.197177
H -2.369743 2.362151 -0.484499
H 2.201738 -1.822244 0.649381
H -3.971044 -1.600335 0.324845
H 3.005586 2.442234 0.327815
H 1.864664 3.281206 2.524982
H 5.118415 1.930940 -0.905227
H -4.585652 1.895960 -1.139217
H -3.008347 -3.771434 0.415668
H -3.616722 -3.215477 2.027824
H -2.299797 -4.446667 1.932810
H -5.778450 -0.931026 -0.665388
H 6.567435 0.280602 -1.685900
H -7.840569 0.572726 -1.022048
H -6.805079 1.731852 -1.924999
H 5.730754 -2.668073 -2.160062
H 4.005959 -2.898420 -2.652983
H 4.870899 -4.215756 -1.770157
H -6.506078 -0.201810 -3.438104


