%chk=000194063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194063

0 1
O -3.191568 1.605970 -1.598578
O -3.866110 -1.452745 1.820606
O 3.190183 2.267832 0.008170
O 3.867285 -2.310685 -0.275217
N -3.116432 0.092506 0.207754
N 3.116353 -0.078335 -0.213460
C -0.663555 -0.113436 -0.230240
C 0.663494 0.081502 0.243456
C -1.748787 0.254552 0.644888
C 1.748718 -0.270997 -0.638032
C -0.875149 -0.674420 -1.528370
C 0.875109 0.594682 1.561206
C -1.519948 0.750360 1.911310
C 1.519902 -0.808262 -1.887429
C 0.185728 -1.015483 -2.329093
C -0.185764 0.914061 2.370836
C -3.734725 0.812708 -0.885081
C -4.081609 -0.763013 0.865480
C 3.734002 1.202388 0.057704
C 4.082204 -1.148638 -0.080557
C -5.171221 0.323583 -0.898342
C -5.364896 -0.563895 0.081760
C 5.170867 0.864570 0.410182
C 5.365280 -0.455468 0.336473
H -1.894584 -0.830391 -1.878841
H 1.894550 0.730595 1.919918
H -2.344614 1.012779 2.574231
H 2.344562 -1.086890 -2.543706
H 0.025315 -1.447015 -3.317394
H -0.025320 1.301604 3.377198
H -5.860996 0.702252 -1.638376
H -6.255038 -1.109610 0.358680
H 5.860304 1.654429 0.670234
H 6.255856 -1.037792 0.522532


%chk=000194063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194063

0 1
O -3.218813 1.731112 -1.548031
O -3.862811 -1.561891 1.764129
O 3.219498 2.321707 -0.125589
O 3.861181 -2.349070 -0.147067
N -3.127525 0.095509 0.198973
N 3.127200 -0.069893 -0.208464
C -0.677558 -0.117312 -0.231460
C 0.677361 0.078732 0.247780
C -1.764868 0.252422 0.638523
C 1.764684 -0.267651 -0.631610
C -0.889106 -0.692264 -1.525894
C 0.889123 0.576262 1.573806
C -1.527246 0.740707 1.924307
C 1.527227 -0.820898 -1.890837
C 0.191366 -1.046952 -2.333001
C -0.191325 0.889419 2.397952
C -3.760424 0.851138 -0.841023
C -4.082443 -0.784377 0.807859
C 3.760838 1.199163 -0.005731
C 4.081562 -1.123394 -0.018928
C -5.189964 0.376518 -0.889634
C -5.375723 -0.574952 0.063902
C 5.190519 0.896641 0.362616
C 5.375524 -0.450480 0.359120
H -1.909846 -0.860008 -1.880007
H 1.910137 0.704134 1.943706
H -2.372103 1.002923 2.568224
H 2.372114 -1.084659 -2.534124
H 0.020770 -1.493554 -3.317469
H -0.020680 1.261094 3.413066
H -5.901489 0.788250 -1.605611
H -6.275604 -1.135659 0.317269
H 5.902566 1.693475 0.578179
H 6.275256 -1.026895 0.574970


