%chk=000299138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299138

0 1
O -0.290312 -3.658717 -0.000466
O -0.009069 2.982907 1.088016
O -0.009339 2.984499 -1.084992
O 2.864978 2.195013 -1.087855
O 2.868502 2.195916 1.084305
O -4.973080 -1.133817 -0.000515
O -4.939895 1.034327 0.000323
N -0.196526 2.481933 0.001156
N 2.767305 1.664467 -0.001397
N -4.405866 -0.058513 -0.000130
C -0.088117 -0.091096 -0.000268
C 1.354455 -0.484445 -0.000345
C -0.868583 -1.298615 -0.000488
C 1.412365 -1.920571 -0.000143
C 0.029535 -2.503404 -0.000631
C -0.793566 1.106093 0.000296
C 2.571203 0.178483 -0.000493
C -2.245382 -1.324873 -0.000468
C 2.588986 -2.638984 0.000230
C -2.918402 -0.081745 -0.000105
C -2.210201 1.114214 0.000342
C 3.794898 -0.543483 -0.000021
C 3.807621 -1.927983 0.000371
H -2.809037 -2.270132 -0.000731
H 2.576449 -3.733620 0.000361
H -2.760264 2.071020 0.000761
H 4.741499 0.009596 0.000054
H 4.754842 -2.472971 0.000733


%chk=000299138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299138

0 1
O -0.291264 -3.706061 0.083435
O 0.853480 2.292067 1.357483
O -0.716882 3.485396 0.208037
O 1.732696 2.015690 -1.335676
O 3.716134 2.271092 -0.236653
O -5.006636 -1.127010 -0.495869
O -4.954245 1.150585 -0.324725
N -0.168203 2.385574 0.574198
N 2.677271 1.591383 -0.563569
N -4.387953 -0.006456 -0.344416
C -0.086744 -0.105476 0.033458
C 1.356338 -0.498663 0.037504
C -0.867732 -1.303399 -0.054955
C 1.424138 -1.922892 0.162206
C 0.042117 -2.494561 0.066661
C -0.801428 1.109374 0.145665
C 2.585082 0.183192 -0.099349
C -2.260154 -1.313286 -0.168072
C 2.630487 -2.627798 0.281305
C -2.909501 -0.058313 -0.182799
C -2.205760 1.145680 -0.006059
C 3.816579 -0.501287 0.056279
C 3.842269 -1.895304 0.268521
H -2.826599 -2.245816 -0.239036
H 2.616851 -3.718063 0.374915
H -2.739487 2.099321 0.035924
H 4.741764 0.077041 -0.020060
H 4.802382 -2.406510 0.383545


