%chk=000235003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235003

0 1
O 2.216459 -1.661952 0.700772
O -2.216343 1.672980 0.674841
N 1.461956 -0.079494 2.220440
N -1.462432 0.113264 2.218110
N 3.014298 0.510183 0.481264
N -3.013704 -0.502288 0.486960
C 0.789270 1.257142 2.197193
C 0.627693 -1.159722 2.818170
C -0.628543 1.202281 2.800208
C -0.789728 -1.223556 2.215120
C 2.214310 -0.496349 1.063721
C -2.214198 0.512857 1.054948
C 3.897047 0.315747 -0.631698
C -3.895910 -0.324419 -0.629197
C 4.672857 1.426602 -1.027300
C -4.671306 -1.441126 -1.008814
C 3.991736 -0.902415 -1.324675
C -3.990477 0.883399 -1.340066
C 5.533037 1.303167 -2.118697
C -5.530955 -1.333926 -2.102342
C 4.859539 -1.000804 -2.413303
C -4.857748 0.965596 -2.430459
C 5.630751 0.094359 -2.815415
C -5.628549 -0.135514 -2.816810
H 0.721554 1.662602 1.160972
H 1.420343 1.955349 2.793028
H 0.589869 -0.974494 3.915471
H 1.137755 -2.144311 2.674362
H -0.591418 1.033417 3.900171
H -1.138506 2.184621 2.641426
H -0.721329 -1.644325 1.185063
H -1.421186 -1.912864 2.820825
H 3.066212 1.425156 0.933467
H -3.065670 -1.410525 0.952535
H 4.608133 2.372256 -0.496744
H -4.606666 -2.378864 -0.464380
H 3.396929 -1.768189 -1.014584
H -3.395983 1.753753 -1.042447
H 6.133054 2.158548 -2.428536
H -6.130649 -2.193892 -2.399872
H 4.933970 -1.945348 -2.952952
H -4.932085 1.902087 -2.983979
H 6.303263 0.006631 -3.664934
H -6.300650 -0.060419 -3.667863


%chk=000235003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235003

0 1
O 2.917345 -1.922071 0.773210
O -2.917549 1.934647 0.741893
N 1.390158 -0.240155 1.336185
N -1.389665 0.261922 1.329729
N 3.386031 0.322295 0.214014
N -3.384063 -0.317716 0.213812
C 0.919815 1.165455 1.286822
C 0.484627 -1.235896 1.934048
C -0.485349 1.266569 1.914376
C -0.919318 -1.144249 1.302235
C 2.593774 -0.692218 0.768828
C -2.593047 0.705104 0.754994
C 4.643987 0.187633 -0.440781
C -4.642414 -0.193548 -0.442315
C 5.236654 1.379094 -0.943668
C -5.233431 -1.392480 -0.929127
C 5.316237 -1.052664 -0.608363
C -5.316718 1.043371 -0.625855
C 6.481131 1.335135 -1.603008
C -6.478408 -1.359243 -1.588160
C 6.562052 -1.078433 -1.272378
C -6.563038 1.058348 -1.289270
C 7.154868 0.103092 -1.773100
C -7.154274 -0.130640 -1.773924
H 0.862989 1.516247 0.235001
H 1.602976 1.839300 1.847958
H 0.418861 -1.095366 3.030618
H 0.925479 -2.228597 1.747046
H -0.421962 1.142906 3.013142
H -0.925695 2.256366 1.711448
H -0.860395 -1.510785 0.255900
H -1.603660 -1.809558 1.872041
H 3.040258 1.281033 0.274491
H -3.037034 -1.275120 0.286894
H 4.720879 2.341048 -0.819164
H -4.715976 -2.351852 -0.792220
H 4.857713 -1.964106 -0.221655
H -4.859375 1.960597 -0.251632
H 6.922483 2.262873 -1.983939
H -6.918486 -2.292614 -1.956596
H 7.073454 -2.039796 -1.397099
H -7.076088 2.017145 -1.426365
H 8.121834 0.066493 -2.285753
H -8.121661 -0.102363 -2.286314


