%chk=000186030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186030

0 1
O 2.201463 1.734244 -0.154648
O 0.451652 3.010305 0.320498
O -2.594711 0.189065 3.025558
O 3.544050 -2.423694 1.318606
C 0.094704 0.903940 -0.996674
C -0.680901 0.007429 0.014921
C -1.483968 -1.076433 -0.750750
C -0.786143 1.508345 -2.127541
C -2.421337 -0.436275 -1.785942
C -2.208084 -1.998617 0.262742
C -1.625979 0.398939 -2.794901
C 1.266418 0.091827 -1.617141
C -1.568543 0.814922 0.970151
C 0.834950 2.006868 -0.216558
C -3.152632 -1.203016 1.176678
C 2.519857 0.460348 -0.798168
C -2.439409 -0.050767 1.849300
C -1.673090 2.669079 -1.677172
C -2.961421 -3.135531 -0.432482
C 2.856371 -0.537488 0.256035
C 2.721936 -0.334579 1.682040
C 3.357546 -1.805588 0.082405
C 3.144238 -1.488255 2.283191
H 0.087593 -0.516583 0.645995
H -0.748261 -1.714649 -1.305962
H -0.087150 1.918881 -2.904545
H -3.177525 0.194810 -1.282095
H -2.990721 -1.220930 -2.319765
H -1.418492 -2.461674 0.912236
H -0.963745 -0.261946 -3.386278
H -2.320355 0.854941 -3.527302
H 1.413913 0.349684 -2.681223
H 1.065971 -0.994583 -1.601911
H -2.228713 1.511990 0.395871
H -0.953407 1.490216 1.606932
H -3.596065 -1.868268 1.946167
H -4.015069 -0.808191 0.603290
H 3.403515 0.704960 -1.429488
H -2.248166 3.078501 -2.514136
H -2.392008 2.363512 -0.900433
H -1.086000 3.496388 -1.250081
H -3.379019 -3.838441 0.298483
H -3.796643 -2.768329 -1.039532
H -2.302226 -3.708826 -1.093673
H 2.371264 0.576303 2.136136
H 3.637071 -2.418120 -0.743974
H 3.244572 -1.849015 3.282641


%chk=000186030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186030

0 1
O 2.202778 1.784250 -0.068997
O 0.381931 3.149143 0.264448
O -2.378085 -0.002670 3.178310
O 3.117371 -2.562400 1.416572
C 0.101114 0.984958 -1.016638
C -0.674457 0.043750 0.000723
C -1.469467 -1.062148 -0.766565
C -0.822004 1.567084 -2.159205
C -2.385681 -0.463215 -1.861349
C -2.182077 -2.012756 0.244422
C -1.562518 0.390510 -2.855737
C 1.302724 0.204384 -1.649506
C -1.561860 0.815368 1.026289
C 0.830031 2.098227 -0.224224
C -3.125238 -1.229228 1.203034
C 2.514493 0.471845 -0.716782
C -2.361041 -0.126294 1.924368
C -1.825133 2.692662 -1.789373
C -2.935283 -3.173912 -0.440381
C 2.769649 -0.566108 0.353042
C 3.120566 -0.300554 1.737083
C 2.781353 -1.943979 0.199356
C 3.315778 -1.524897 2.347257
H 0.100786 -0.480842 0.597778
H -0.725319 -1.695294 -1.297998
H -0.123602 2.014328 -2.897831
H -3.191121 0.149878 -1.412838
H -2.888103 -1.277144 -2.416279
H -1.379791 -2.459032 0.871862
H -0.832834 -0.268045 -3.370328
H -2.224588 0.801855 -3.642224
H 1.519136 0.609537 -2.654513
H 1.107779 -0.873832 -1.753205
H -2.282753 1.466127 0.498175
H -0.953057 1.471558 1.668895
H -3.580465 -1.901708 1.950763
H -3.946247 -0.773246 0.611585
H 3.437229 0.657578 -1.294274
H -2.156753 3.187204 -2.721404
H -2.731881 2.308715 -1.290587
H -1.370928 3.452804 -1.135263
H -3.277581 -3.910190 0.309449
H -3.828403 -2.816422 -0.984948
H -2.284675 -3.703958 -1.161531
H 3.194398 0.683090 2.195137
H 2.609242 -2.620378 -0.633080
H 3.571890 -1.840902 3.354015


