%chk=000219996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219996

0 1
O 1.994672 -1.628730 -0.626891
O 3.031077 2.987163 -1.136067
O 4.797249 2.574414 1.061292
C -5.265160 0.442891 0.186260
C -5.354726 -1.103116 0.127622
C -4.086978 0.943079 -0.671053
C -2.757511 0.318937 -0.199549
C -4.027634 -1.728783 0.597797
C -6.589698 1.070894 -0.289638
C -2.849938 -1.220087 -0.243439
C -6.530490 -1.602028 0.989583
C -7.770001 0.565614 0.551311
C -7.852018 -0.967350 0.535189
C -1.594783 0.837202 -1.070825
C -0.225219 0.525775 -0.458540
C 0.916670 1.049862 -1.341815
C 2.274600 0.759212 -0.774512
C 2.731520 -0.489065 -0.492487
C 3.169724 1.918300 -0.596604
C 4.102739 -0.782307 -0.024280
C 4.370033 1.686046 0.370366
C 4.915839 0.296289 0.384501
C 4.601852 -2.087956 0.016766
C 6.217616 0.057806 0.831627
C 5.912219 -2.317532 0.456181
C 6.717393 -1.250987 0.860556
H -5.090012 0.748384 1.245968
H -5.536541 -1.407936 -0.930886
H -4.262793 0.701093 -1.735441
H -4.026996 2.045427 -0.615515
H -2.579218 0.632588 0.858340
H -4.086353 -2.830764 0.531960
H -3.855701 -1.497502 1.665984
H -6.761191 0.833561 -1.356345
H -6.529252 2.172835 -0.228146
H -1.909061 -1.666979 0.125618
H -2.963333 -1.560889 -1.289885
H -6.348417 -1.364911 2.054666
H -6.602482 -2.703259 0.930041
H -8.714330 0.997532 0.171312
H -7.667381 0.923474 1.593783
H -8.676649 -1.307406 1.188657
H -8.104634 -1.317317 -0.484091
H -1.666709 0.412191 -2.089754
H -1.695052 1.933816 -1.202045
H -0.149471 0.972446 0.553227
H -0.119735 -0.574533 -0.308933
H 0.844384 0.628027 -2.366540
H 0.802723 2.150647 -1.484611
H 1.023697 -1.425519 -0.848884
H 3.965320 -2.920752 -0.292856
H 6.836639 0.897534 1.160517
H 6.300986 -3.336362 0.482919
H 7.736217 -1.433268 1.203689


%chk=000219996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219996

0 1
O 2.427202 -1.593774 -1.502925
O 2.375324 2.954340 0.116800
O 4.915852 2.544203 1.237645
C -5.359721 0.471473 0.099544
C -5.439757 -1.067026 0.302565
C -4.126838 0.848053 -0.755368
C -2.795781 0.319448 -0.161383
C -4.121959 -1.602182 0.909874
C -6.674573 1.018240 -0.507880
C -2.889283 -1.213272 0.060641
C -6.673458 -1.448674 1.155909
C -7.908117 0.632193 0.341989
C -7.986409 -0.899498 0.549684
C -1.597293 0.719501 -1.058983
C -0.209358 0.459911 -0.432402
C 0.948482 0.944589 -1.353404
C 2.322608 0.718107 -0.752211
C 2.981235 -0.499136 -0.840361
C 2.946036 1.827255 -0.017750
C 4.304015 -0.775620 -0.257342
C 4.349664 1.603559 0.616249
C 4.978559 0.258817 0.458001
C 4.917467 -2.044523 -0.393925
C 6.251595 0.010571 1.023014
C 6.188982 -2.280715 0.174016
C 6.859209 -1.255127 0.883112
H -5.232316 0.930010 1.107596
H -5.565370 -1.526104 -0.705814
H -4.256656 0.432819 -1.778927
H -4.073139 1.950727 -0.865570
H -2.655342 0.799417 0.833218
H -4.176933 -2.704490 1.015829
H -4.005187 -1.190428 1.935048
H -6.794832 0.608644 -1.533717
H -6.610311 2.120250 -0.611264
H -1.969717 -1.590708 0.549057
H -2.955138 -1.711345 -0.931158
H -6.543392 -1.037782 2.179921
H -6.730823 -2.550991 1.260838
H -8.834939 1.001546 -0.138944
H -7.840177 1.130378 1.331599
H -8.845313 -1.154825 1.200682
H -8.168949 -1.389641 -0.429518
H -1.678460 0.180496 -2.028348
H -1.674658 1.801042 -1.296526
H -0.135169 1.001301 0.530430
H -0.086982 -0.616674 -0.197063
H 0.854680 0.468742 -2.355661
H 0.828493 2.030615 -1.517177
H 1.540859 -1.360804 -1.881334
H 4.394574 -2.831843 -0.942605
H 6.743058 0.824721 1.565734
H 6.657358 -3.264550 0.063634
H 7.844803 -1.443536 1.321034


