%chk=000200612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200612

0 1
P -0.071426 0.029972 -0.519892
O 0.014209 -0.080294 -2.024486
N -2.546400 0.598593 -0.213336
N 1.642786 1.886208 -0.166268
N 0.647056 -2.314476 0.200215
C -1.294741 1.345073 0.061281
C 1.558737 0.485544 0.310422
C -0.626962 -1.565438 0.319973
C -3.609970 0.928860 0.797257
C -3.041179 0.858456 -1.613578
C 2.246014 2.793616 0.868889
C 2.363131 2.003998 -1.475768
C 0.865010 -3.213218 1.385886
C 0.699742 -3.101635 -1.084382
C -3.291908 0.257481 2.135019
C -4.055819 -0.213925 -2.011239
C 1.230328 3.072676 1.979296
C 3.849047 1.641108 -1.464380
C 1.259491 -2.383243 2.609411
C 2.144970 -3.497260 -1.388737
H -1.145415 2.289503 -0.498715
H -1.155612 1.590182 1.129019
H 2.367832 -0.196876 -0.023626
H 1.504049 0.391725 1.408481
H -0.939860 -1.389667 1.364664
H -1.507987 -1.992464 -0.199265
H -3.741376 2.022463 0.939263
H -4.581948 0.538995 0.418164
H -3.476827 1.871525 -1.732859
H -2.170347 0.799804 -2.317666
H 3.182733 2.385025 1.303796
H 2.517462 3.752859 0.375024
H 1.825537 1.359465 -2.221029
H 2.224264 3.049004 -1.827970
H -0.022406 -3.839420 1.617810
H 1.694090 -3.915483 1.141333
H 0.045468 -3.997100 -1.065250
H 0.328187 -2.451482 -1.918777
H -3.137996 -0.821313 2.002786
H -2.383561 0.663898 2.592225
H -4.113897 0.393938 2.845398
H -3.631798 -1.217816 -1.873341
H -4.972795 -0.161247 -1.414792
H -4.329761 -0.113971 -3.067048
H 0.290226 3.455804 1.561946
H 0.991244 2.170922 2.552431
H 1.614720 3.821552 2.679654
H 4.438807 2.323364 -0.845457
H 4.008983 0.624327 -1.085670
H 4.262701 1.674524 -2.478836
H 2.121165 -1.741730 2.383920
H 0.445114 -1.731052 2.942314
H 1.534033 -3.030799 3.448522
H 2.794738 -2.611510 -1.395095
H 2.550231 -4.195464 -0.648769
H 2.217584 -3.966285 -2.375865


%chk=000200612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200612

0 1
P -0.047979 0.024787 -0.483681
O 0.051670 -0.119000 -2.106422
N -2.756132 0.614199 -0.198804
N 1.785833 2.081325 -0.120063
N 0.761519 -2.527498 0.280843
C -1.433866 1.203093 0.083727
C 1.547877 0.697318 0.313752
C -0.400357 -1.626338 0.399466
C -3.814995 1.075841 0.739346
C -3.130871 0.749972 -1.640424
C 2.423840 2.955760 0.895687
C 2.359261 2.191926 -1.492940
C 0.870448 -3.489008 1.411627
C 0.831068 -3.175253 -1.065586
C -3.680028 0.475670 2.151949
C -4.168848 -0.293838 -2.089998
C 1.477941 3.316385 2.058175
C 3.847206 1.775521 -1.632059
C 1.340108 -2.833577 2.724347
C 2.255496 -3.620942 -1.441449
H -1.245032 2.181482 -0.414191
H -1.301175 1.348662 1.170262
H 2.352451 -0.026586 0.059636
H 1.398067 0.655221 1.407011
H -0.594330 -1.384777 1.459437
H -1.345170 -2.027177 -0.032643
H -3.844311 2.193573 0.803171
H -4.784734 0.758717 0.316774
H -3.506534 1.782539 -1.853579
H -2.206897 0.606796 -2.231131
H 3.363816 2.513039 1.308961
H 2.717447 3.887113 0.374776
H 1.733332 1.568658 -2.158855
H 2.239072 3.243911 -1.816570
H -0.096161 -4.028186 1.581698
H 1.610282 -4.254933 1.118854
H 0.128712 -4.044916 -1.120206
H 0.488826 -2.427228 -1.804842
H -3.671800 -0.627118 2.094515
H -2.753406 0.802747 2.659403
H -4.530032 0.790627 2.785428
H -3.779470 -1.312296 -1.915682
H -5.132548 -0.196425 -1.556611
H -4.373299 -0.179595 -3.170637
H 0.561675 3.794535 1.669034
H 1.181130 2.425061 2.642480
H 1.975285 4.015892 2.755795
H 4.510146 2.401817 -1.006820
H 4.001286 0.718227 -1.347636
H 4.169192 1.884659 -2.684075
H 2.311297 -2.330827 2.570698
H 0.618905 -2.082958 3.098547
H 1.458731 -3.598171 3.514571
H 2.936661 -2.751835 -1.432284
H 2.660634 -4.384558 -0.751917
H 2.258458 -4.054737 -2.458563


