%chk=000213312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213312

0 1
O -0.909931 -2.729953 0.858839
O -5.887637 1.071925 -0.104479
N 2.771588 -0.907745 -0.042602
N 5.547283 -0.072153 0.006360
C 3.281371 0.034200 1.006830
C 3.871078 -1.844847 -0.445578
C 4.453037 0.855340 0.432008
C 5.046944 -1.033216 -1.025641
C 1.571641 -1.664037 0.440901
C 6.844335 0.482395 -0.183466
C 0.323000 -0.797787 0.204868
C -0.945647 -1.568491 0.496189
C 7.226618 1.665949 0.491981
C 7.815119 -0.204982 -0.950562
C -2.241150 -0.858482 0.332587
C -9.619694 1.030836 -0.104007
C -8.170149 1.556742 -0.061988
C 8.536780 2.131454 0.403505
C 9.119684 0.277938 -1.025602
C 9.491475 1.447514 -0.355329
C -7.169307 0.450739 0.252586
C -3.411588 -1.546519 0.699158
C -2.343544 0.452534 -0.172888
C -10.549711 2.125091 -0.642558
C -10.084579 0.564171 1.280400
C -4.740652 0.354485 0.075229
C -4.667661 -0.953603 0.578463
C -3.579278 1.067157 -0.305350
H 2.457883 0.723745 1.289625
H 3.608718 -0.487436 1.933526
H 4.230528 -2.477909 0.395338
H 3.479448 -2.526041 -1.231930
H 4.836064 1.544343 1.218734
H 4.097873 1.481266 -0.417167
H 4.722944 -0.504341 -1.950115
H 5.866278 -1.732236 -1.309615
H 1.631362 -1.964126 1.509301
H 1.464447 -2.612715 -0.133465
H 0.365093 0.118738 0.825900
H 0.323282 -0.440466 -0.848539
H 6.504752 2.210373 1.096856
H 7.552900 -1.122535 -1.473011
H -9.662801 0.159290 -0.805020
H -7.903312 2.018237 -1.036807
H -8.075076 2.376608 0.676517
H 8.818176 3.041806 0.932576
H 9.857931 -0.264105 -1.616442
H -7.141077 0.182946 1.321302
H -7.303657 -0.446420 -0.374474
H 10.509056 1.818641 -0.421708
H -3.323264 -2.569024 1.085760
H -1.446469 0.999277 -0.469692
H -11.585548 1.772123 -0.700382
H -10.546056 3.014059 -0.001939
H -10.257932 2.444140 -1.649090
H -11.128901 0.231775 1.255926
H -9.486782 -0.273890 1.651102
H -10.020280 1.368546 2.021917
H -5.555529 -1.504077 0.868533
H -3.679776 2.077953 -0.693974


%chk=000213312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213312

0 1
O -0.940885 -2.833358 0.472357
O -5.935920 1.227465 -0.140229
N 2.841503 -0.988470 -0.182757
N 5.590442 -0.052090 -0.042801
C 3.238352 0.094980 0.747783
C 3.978877 -1.928561 -0.343002
C 4.464984 0.863541 0.222539
C 5.205133 -1.193336 -0.906133
C 1.598242 -1.688608 0.230388
C 6.911227 0.461748 -0.099559
C 0.350544 -0.811983 0.029341
C -0.956943 -1.586599 0.229459
C 7.180252 1.859093 0.034216
C 8.032454 -0.412808 -0.250818
C -2.250397 -0.842158 0.127756
C -9.759441 1.046700 0.065269
C -8.316915 1.612449 -0.038594
C 8.504520 2.347449 0.032279
C 9.348260 0.088365 -0.261144
C 9.603466 1.473227 -0.116963
C -7.227852 0.548440 0.113019
C -3.462878 -1.546531 0.355468
C -2.324353 0.545495 -0.189604
C -10.784077 2.169069 -0.225094
C -10.041882 0.399335 1.443759
C -4.762587 0.481144 -0.036374
C -4.711208 -0.904349 0.278562
C -3.561522 1.201183 -0.272601
H 2.404327 0.811126 0.858090
H 3.476119 -0.314719 1.763540
H 4.255467 -2.408587 0.630435
H 3.681802 -2.727058 -1.047704
H 4.766320 1.591632 0.995311
H 4.176227 1.427599 -0.695290
H 4.962389 -0.831508 -1.931603
H 6.041586 -1.903810 -0.988169
H 1.644639 -2.039453 1.290776
H 1.490574 -2.595738 -0.390229
H 0.353444 0.056984 0.716749
H 0.375648 -0.391625 -0.996669
H 6.358906 2.576499 0.117285
H 7.881652 -1.494001 -0.330199
H -9.878979 0.264184 -0.715051
H -8.184435 2.102504 -1.022409
H -8.168689 2.393450 0.732947
H 8.672962 3.426157 0.134874
H 10.183521 -0.613497 -0.371100
H -7.213533 0.115496 1.132525
H -7.362767 -0.269848 -0.624894
H 10.628919 1.856849 -0.122963
H -3.396062 -2.613186 0.595433
H -1.410989 1.118828 -0.377938
H -11.818407 1.779565 -0.199316
H -10.706882 2.972852 0.532242
H -10.614967 2.623073 -1.219213
H -11.092074 0.060016 1.507747
H -9.398055 -0.478595 1.635766
H -9.873359 1.129645 2.258825
H -5.625764 -1.475797 0.459963
H -3.631238 2.265330 -0.516892


