%chk=000193539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193539

0 1
O -0.415716 -0.208860 0.330647
O -0.979355 1.075960 -1.469106
O 5.742783 -0.909546 1.013569
O 5.761241 0.333234 -0.755935
N -3.680337 1.455256 -1.870973
N 5.183981 -0.271679 0.134307
C -2.696421 0.143583 -0.054162
C -3.825135 0.672337 -0.749076
C 0.955777 -0.148911 0.175193
C -2.916984 -0.656984 1.096715
C -1.350944 0.422222 -0.519638
C 1.627900 -0.879211 1.180147
C 1.639870 0.537257 -0.836266
C 3.714293 -0.229425 0.149063
C -5.140461 0.381489 -0.267706
C 3.013938 -0.916065 1.161916
C 3.031422 0.493353 -0.844743
C -4.192326 -0.927952 1.547682
C -5.307773 -0.400958 0.854634
H -2.044119 -1.058173 1.623158
H 1.052811 -1.397336 1.946752
H 1.096329 1.097172 -1.605475
H -6.002982 0.782273 -0.793980
H 3.573751 -1.471627 1.923954
H 3.601581 1.018439 -1.621093
H -4.351326 -1.542301 2.430296
H -6.312676 -0.622850 1.221953
H -2.762108 1.685352 -2.245396
H -4.478016 1.824950 -2.356536


%chk=000193539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193539

0 1
O -0.413437 -0.214746 0.370615
O -1.052013 1.110024 -1.470043
O 5.867532 -0.924604 1.025690
O 5.856112 0.359581 -0.860978
N -3.678000 1.474470 -1.868913
N 5.254068 -0.266053 0.096909
C -2.745243 0.129198 -0.019086
C -3.862139 0.684875 -0.754813
C 0.986248 -0.151539 0.197824
C -2.999426 -0.682261 1.128941
C -1.381717 0.409560 -0.468866
C 1.695940 -0.864056 1.198910
C 1.673111 0.528769 -0.842362
C 3.777206 -0.227246 0.133921
C -5.187251 0.393849 -0.296018
C 3.097619 -0.905685 1.172275
C 3.080278 0.484285 -0.865993
C -4.303595 -0.952789 1.558274
C -5.400331 -0.405458 0.832772
H -2.142064 -1.091396 1.668639
H 1.129469 -1.374279 1.982619
H 1.117096 1.072986 -1.604277
H -6.039401 0.809897 -0.846478
H 3.671243 -1.446047 1.929124
H 3.644953 0.994754 -1.650515
H -4.479748 -1.576532 2.439418
H -6.426168 -0.610497 1.159369
H -2.720926 1.669714 -2.180543
H -4.480419 1.852222 -2.366513


