%chk=000179788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179788

0 1
O -1.464418 -1.597242 0.084318
O -0.271912 2.996332 0.322238
O 3.125968 -0.332384 0.348254
C -2.934816 -1.292145 0.027996
C -3.246406 0.172676 0.071292
C -0.546020 -0.612260 0.166163
C -0.898196 0.757589 0.204091
C -3.347701 -1.933528 -1.294380
C -3.466118 -2.033944 1.251920
C -2.299563 1.119310 0.152964
C 0.160950 1.696034 0.290754
C 0.791631 -1.052250 0.210993
C 1.786028 -0.075960 0.296112
C 1.498081 1.306815 0.337684
C 3.572765 -1.730868 0.313889
C 0.725347 4.046448 0.410126
C 5.081209 -1.610612 0.388337
H -4.304955 0.410587 0.031192
H -2.960834 -1.360801 -2.147221
H -2.943133 -2.950079 -1.381894
H -4.435841 -1.989855 -1.393586
H -4.558558 -2.093874 1.245153
H -3.067716 -3.055710 1.296375
H -3.162009 -1.531436 2.179295
H -2.535344 2.185305 0.184090
H 0.995482 -2.113489 0.178322
H 2.318718 2.008890 0.403971
H 3.137550 -2.252899 1.183251
H 3.221382 -2.181640 -0.630060
H 1.377391 4.021927 -0.468077
H 1.291986 3.951300 1.341191
H 0.100040 4.948129 0.415746
H 5.561517 -2.595444 0.370962
H 5.476591 -1.022785 -0.452175
H 5.395505 -1.093333 1.305912


%chk=000179788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179788

0 1
O -1.451405 -1.626832 0.084351
O -0.302935 3.079464 0.323699
O 3.211278 -0.268094 0.353948
C -2.946693 -1.353562 0.025393
C -3.266855 0.131413 0.068107
C -0.513289 -0.595507 0.168655
C -0.896672 0.769686 0.204490
C -3.415676 -1.993243 -1.300534
C -3.534759 -2.092392 1.248243
C -2.316838 1.104387 0.150742
C 0.140171 1.745928 0.291285
C 0.839543 -1.000729 0.215280
C 1.834339 -0.001446 0.300772
C 1.498016 1.376215 0.339742
C 3.638582 -1.680776 0.317134
C 0.715194 4.126759 0.413493
C 5.163186 -1.682829 0.390171
H -4.333285 0.383800 0.028188
H -2.952156 -1.480730 -2.159891
H -3.131036 -3.059883 -1.325866
H -4.514566 -1.917711 -1.396441
H -4.638011 -2.019940 1.246982
H -3.250425 -3.159013 1.216898
H -3.154916 -1.650156 2.184265
H -2.594842 2.161630 0.178938
H 1.066678 -2.068022 0.183422
H 2.309496 2.103553 0.406596
H 3.191802 -2.222572 1.175902
H 3.277941 -2.149412 -0.621442
H 1.393555 4.103275 -0.461285
H 1.308576 4.030997 1.343399
H 0.154738 5.073271 0.425060
H 5.541980 -2.720919 0.365420
H 5.594733 -1.132007 -0.462815
H 5.509149 -1.205801 1.322895


