%chk=000197582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197582

0 1
O -3.026079 -0.966150 -1.837206
O -1.171919 -2.622274 0.930893
O -3.283719 1.484143 0.918231
O 5.373695 1.081895 -0.251932
O -1.078802 3.009562 0.586383
O 6.176076 -0.995294 0.064376
C -3.482858 -0.326533 -0.589886
C -2.770239 -1.656305 -0.575636
C 0.918562 -0.538204 0.354991
C -1.297456 -1.775835 -0.217607
C -2.686860 0.936680 -0.267174
C -0.576307 -0.464979 0.025282
C -1.205483 0.722256 -0.007736
C 1.592304 0.689103 -0.360483
C -5.005833 -0.304919 -0.443728
C 1.589031 -1.835704 -0.167215
C 1.029359 2.011083 0.162069
C -0.477534 2.000227 0.268375
C 3.074672 0.590903 -0.250294
C 1.050318 -0.470910 1.884668
C 3.101293 -1.898836 0.117595
C 3.735644 -0.571668 -0.069007
C -5.381236 -0.533733 1.021842
C -5.598201 0.999398 -0.980366
C 4.061017 1.723308 -0.380832
C 5.202816 -0.310614 -0.061379
H -3.331855 -2.589772 -0.447926
H -0.784188 -2.367007 -1.023778
H -2.813323 1.668988 -1.106334
H 1.342601 0.611323 -1.457802
H -5.411037 -1.150243 -1.062191
H 1.420629 -1.930125 -1.257201
H 1.100845 -2.717851 0.302710
H 1.341288 2.860276 -0.483231
H 1.448243 2.255044 1.164742
H 0.686622 -1.399137 2.346627
H 2.096388 -0.347593 2.190992
H 0.481292 0.354762 2.323907
H 3.579163 -2.656245 -0.541343
H 3.286651 -2.257219 1.154886
H -4.932175 0.241058 1.665747
H -6.465769 -0.484599 1.165965
H -5.039315 -1.506031 1.386786
H -5.289371 1.858866 -0.368029
H -6.693472 0.969155 -0.963892
H -5.290007 1.187655 -2.014566
H -1.605209 -2.207562 1.712960
H -2.886744 2.383036 1.104756
H 4.061342 2.215794 -1.367819
H 4.010440 2.468926 0.430307


%chk=000197582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197582

0 1
O -2.790441 -0.830589 -1.832557
O -1.500690 -2.324947 1.456496
O -3.247670 1.266622 1.303277
O 5.424688 1.087951 -0.539151
O -1.106771 3.075680 0.608672
O 6.214144 -1.101107 -0.209812
C -3.451384 -0.306334 -0.552291
C -2.731090 -1.616914 -0.543479
C 0.969367 -0.545529 0.400824
C -1.355297 -1.765019 0.080185
C -2.703917 0.917067 -0.033466
C -0.548239 -0.476764 0.143342
C -1.193904 0.738176 0.088397
C 1.602636 0.695850 -0.333840
C -4.983347 -0.298672 -0.596005
C 1.619652 -1.845949 -0.172933
C 1.058942 2.021753 0.239612
C -0.464438 2.011623 0.323640
C 3.105986 0.594588 -0.346797
C 1.212555 -0.497489 1.944971
C 3.152462 -1.910755 0.066287
C 3.789606 -0.573049 -0.182834
C -5.600511 -0.667574 0.777687
C -5.543648 1.038666 -1.131962
C 4.086400 1.722942 -0.586485
C 5.249449 -0.322489 -0.292819
H -3.320791 -2.543224 -0.555252
H -0.801664 -2.555388 -0.450234
H -2.895807 1.763579 -0.723425
H 1.258620 0.638909 -1.391641
H -5.250907 -1.095780 -1.320620
H 1.419230 -1.899024 -1.261929
H 1.154463 -2.731477 0.295824
H 1.353503 2.892592 -0.376493
H 1.456812 2.214645 1.255021
H 0.838653 -1.428951 2.402964
H 2.287690 -0.397087 2.175661
H 0.679320 0.343761 2.420721
H 3.607506 -2.676681 -0.589280
H 3.374182 -2.238952 1.100932
H -5.343942 0.092275 1.533139
H -6.701041 -0.727171 0.691321
H -5.237852 -1.649794 1.135224
H -5.337397 1.862091 -0.424995
H -6.639279 0.968113 -1.255269
H -5.107871 1.294238 -2.115151
H -2.011129 -1.664500 1.997718
H -2.896075 2.180705 1.491215
H 3.971144 2.201252 -1.577668
H 4.053395 2.506231 0.193756


