%chk=000212804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212804

0 1
O -7.801260 -1.665530 0.909849
O -9.145418 0.174566 0.245696
O 5.150605 -2.953036 1.654523
O 7.494519 -2.905185 1.283378
N -2.928572 -0.450603 -0.730149
N -0.488129 -0.056248 0.808927
N 1.531044 0.618987 -0.268059
N 3.707772 1.598534 -1.015333
N 0.331425 2.147000 1.269545
N 3.621471 3.572590 0.167811
C -2.798166 0.713896 0.207722
C -1.592326 -0.812263 -1.311986
C -1.821302 0.352014 1.343311
C -0.623704 -1.176065 -0.167988
C -3.904613 -0.146710 -1.829937
C 0.469974 0.937515 0.558265
C -5.302946 -0.005243 -1.274968
C 2.508185 1.572772 -0.297609
C -5.793016 -1.006197 -0.393692
C -6.094544 1.078234 -1.658758
C 2.458065 2.825520 0.425556
C -7.083597 -0.843321 0.049845
C 4.259118 0.504085 -1.832454
C 1.308957 3.062636 1.208774
C -7.891756 0.263715 -0.349054
C -7.423663 1.237661 -1.200383
C 5.172065 -0.383111 -1.017507
C 4.355935 2.833285 -0.666196
C 4.583132 -1.237398 -0.046981
C -9.121036 -1.045471 1.056453
C 6.548866 -0.354105 -1.232334
C 5.452114 -2.032459 0.660565
C 6.863996 -2.004782 0.436834
C 7.437802 -1.177990 -0.501064
C 6.431441 -3.520783 2.084960
H -3.803180 0.918859 0.640979
H -2.467082 1.647718 -0.295352
H -1.151174 -0.006052 -1.937183
H -1.728742 -1.698561 -1.968699
H -1.716336 1.206046 2.051015
H -2.210530 -0.512220 1.930354
H -1.009256 -2.054466 0.400769
H 0.370400 -1.462818 -0.578129
H -3.898023 -1.008427 -2.540712
H -3.621484 0.750650 -2.424310
H -5.161426 -1.838537 -0.086170
H -5.694201 1.835021 -2.332183
H 4.788160 0.941521 -2.710885
H 3.407609 -0.099494 -2.242508
H 1.178495 3.993202 1.776940
H -8.032409 2.083001 -1.506243
H 5.324132 3.093073 -1.070356
H 3.505944 -1.245427 0.126124
H -9.241177 -0.754102 2.108020
H -9.866225 -1.738695 0.645134
H 6.973100 0.315067 -1.980194
H 8.509740 -1.151449 -0.673797
H 6.417615 -4.594614 1.857326
H 6.592007 -3.235910 3.133297


%chk=000212804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212804

0 1
O -7.105710 -1.929091 1.663799
O -9.053010 -0.798980 0.821384
O 4.344629 -3.323010 1.405407
O 6.691641 -3.793574 1.235203
N -2.954653 -0.043997 -1.110421
N -0.489678 0.882608 0.021531
N 1.814779 1.192381 -0.410927
N 4.182401 1.852760 -0.640971
N 0.551187 2.742412 1.039396
N 4.187964 3.722412 0.708368
C -2.906585 1.235867 -0.358393
C -1.668785 -0.293627 -1.805966
C -1.769854 1.208637 0.679418
C -0.509074 -0.345617 -0.791843
C -4.122100 -0.135227 -2.019537
C 0.659856 1.622962 0.217525
C -5.449646 -0.246949 -1.275216
C 2.879096 1.986988 -0.160469
C -5.534128 -1.072489 -0.114546
C -6.599866 0.421790 -1.758804
C 2.893579 3.155471 0.669794
C -6.781258 -1.188048 0.496798
C 4.666960 0.782565 -1.538953
C 1.657484 3.495351 1.261845
C -7.926437 -0.525362 0.003384
C -7.868627 0.292485 -1.125791
C 5.260254 -0.417074 -0.808209
C 4.919130 2.918232 -0.077388
C 4.399771 -1.254091 -0.034244
C -8.573779 -1.772467 1.839481
C 6.642770 -0.703443 -0.907349
C 4.987889 -2.337975 0.614285
C 6.369983 -2.617633 0.513331
C 7.227270 -1.819798 -0.245008
C 5.442344 -4.160647 1.956594
H -3.870435 1.377962 0.161353
H -2.755909 2.104952 -1.048150
H -1.448303 0.498715 -2.566448
H -1.731001 -1.264210 -2.333172
H -1.660152 2.181553 1.180562
H -1.996328 0.434026 1.441010
H -0.651991 -1.223031 -0.127267
H 0.459718 -0.440055 -1.304631
H -3.974239 -1.041988 -2.641152
H -4.173103 0.730310 -2.728168
H -4.639759 -1.569148 0.270184
H -6.515091 1.059681 -2.646100
H 5.412822 1.224029 -2.223247
H 3.793016 0.473359 -2.141039
H 1.542723 4.367174 1.914961
H -8.754197 0.812774 -1.499054
H 5.980657 3.045331 -0.282360
H 3.328751 -1.043096 0.041659
H -8.774051 -1.366950 2.844953
H -9.063462 -2.747429 1.662871
H 7.286180 -0.051256 -1.509089
H 8.293447 -2.044730 -0.325783
H 5.216184 -5.220799 1.764185
H 5.567123 -3.931103 3.031214


