%chk=000274002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274002

0 1
O -3.904288 0.404470 -1.287900
N -0.260484 1.989310 -0.236110
N -1.452656 1.422679 -0.494266
C 0.732928 -1.081604 -0.518881
C 0.887287 -2.498853 -0.099028
C 0.967378 -0.088327 0.355473
C 0.838921 1.347208 0.040336
C 2.095517 2.147812 0.067669
C 0.306676 -0.865833 -1.930707
C 2.147018 -2.989857 0.274815
C -0.229219 -3.348726 -0.080889
C 2.958015 2.068200 1.171949
C 2.419395 2.976562 -1.017765
C 2.286796 -4.325094 0.663428
C -0.083459 -4.680846 0.314216
C 1.173295 -5.170889 0.685221
C 4.141745 2.810221 1.182952
C 3.606982 3.713011 -1.000124
C 4.469137 3.630104 0.097675
C -3.738176 0.935015 0.004589
C -2.408263 1.380073 0.390778
C -4.938371 0.914355 0.681903
C -5.912110 0.350590 -0.214503
C -5.252971 0.058946 -1.381714
H 1.286995 -0.297956 1.378267
H -0.767784 -0.608849 -1.981093
H 0.462233 -1.748617 -2.563479
H 0.839374 -0.025105 -2.399163
H 3.014068 -2.330966 0.256949
H -1.207285 -2.966839 -0.371322
H 2.706031 1.435386 2.020865
H 1.738383 3.050702 -1.866647
H 3.265552 -4.706313 0.950154
H -0.950923 -5.338753 0.332274
H 1.284171 -6.209751 0.990167
H 4.810217 2.750464 2.040227
H 3.857783 4.355410 -1.842923
H 5.393236 4.205264 0.109306
H -2.322941 1.663463 1.453766
H -5.135825 1.250867 1.680737
H -6.949626 0.200247 0.013301
H -5.513053 -0.357682 -2.328903


%chk=000274002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274002

0 1
O -3.840555 0.134457 -1.348410
N -0.124153 1.967532 -0.568646
N -1.305855 1.321697 -0.773865
C 0.672969 -1.171927 -0.539679
C 0.795264 -2.553722 0.018198
C 1.087434 -0.086366 0.194397
C 0.992213 1.343764 -0.195701
C 2.210212 2.197939 -0.077651
C 0.082598 -1.019524 -1.928421
C 1.791853 -2.899228 0.976716
C -0.096340 -3.578000 -0.409797
C 3.496338 1.602852 0.037069
C 2.114091 3.618247 -0.086095
C 1.877961 -4.205182 1.500722
C -0.015467 -4.884392 0.118374
C 0.971446 -5.206301 1.077770
C 4.654229 2.404312 0.144552
C 3.270225 4.415882 0.013462
C 4.547124 3.813376 0.133810
C -3.636124 0.968995 -0.224252
C -2.329859 1.530212 0.029749
C -4.836622 1.084899 0.481774
C -5.826557 0.305848 -0.220551
C -5.190434 -0.252442 -1.319109
H 1.539310 -0.254540 1.181788
H -1.021249 -0.931479 -1.884947
H 0.347309 -1.877138 -2.571131
H 0.436923 -0.093650 -2.409456
H 2.525228 -2.148594 1.292330
H -0.872993 -3.343206 -1.145111
H 3.589098 0.511316 0.017002
H 1.122380 4.072366 -0.175560
H 2.659933 -4.447172 2.229450
H -0.722709 -5.650618 -0.218841
H 1.040196 -6.221922 1.482992
H 5.638628 1.930127 0.228040
H 3.180391 5.508063 0.004346
H 5.445204 4.435735 0.217108
H -2.241393 2.138517 0.945723
H -4.985665 1.663873 1.391397
H -6.871877 0.176542 0.051968
H -5.509003 -0.901651 -2.129915


