%chk=000245454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245454

0 1
O 4.848248 0.905088 -0.403409
O -3.464878 -0.313394 -0.167528
O 1.245801 -1.884941 -0.591101
O -2.196439 1.557433 -0.202226
N 2.581744 -0.497733 0.617735
C 3.789577 -1.237614 0.153119
C 2.906366 0.874306 1.082244
C 4.552576 -0.418959 -0.899465
C 3.674164 1.641043 -0.010418
C 1.336646 -0.856207 0.061979
C 0.143699 0.014933 0.401965
C -1.155535 -0.654687 -0.042893
C -2.268976 0.349322 -0.144916
C -4.710420 0.479491 -0.312372
C -4.864479 0.838228 -1.779673
C -5.767726 -0.476974 0.210908
H 3.484639 -2.228268 -0.262275
H 4.432189 -1.432681 1.040159
H 3.546773 0.777801 1.992138
H 1.998715 1.427862 1.393802
H 5.562235 -0.822899 -1.094809
H 3.990916 -0.331622 -1.845760
H 3.051750 1.835846 -0.900535
H 4.104814 2.587034 0.364936
H 0.107142 0.227854 1.491144
H 0.242937 1.007924 -0.096494
H -1.434670 -1.487456 0.639787
H -1.017455 -1.161299 -1.031390
H -4.597278 1.383759 0.326249
H -5.833153 1.309351 -1.980245
H -4.081797 1.542671 -2.097042
H -4.785874 -0.046744 -2.423791
H -6.769749 -0.038795 0.145120
H -5.580040 -0.744764 1.258799
H -5.774259 -1.417712 -0.357041


%chk=000245454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245454

0 1
O 5.180330 0.871604 0.053407
O -3.554188 -0.367952 -0.115091
O 1.219975 -1.893319 -0.834808
O -2.224391 1.516690 -0.477492
N 2.604035 -0.395484 0.274889
C 3.807665 -1.196487 -0.049186
C 2.892518 0.839031 1.034305
C 4.849807 -0.315441 -0.760122
C 3.969380 1.668062 0.297272
C 1.349936 -0.833749 -0.139892
C 0.136987 0.018088 0.265256
C -1.182288 -0.692263 -0.082558
C -2.331168 0.286967 -0.242303
C -4.804048 0.452815 -0.336456
C -5.069512 0.548847 -1.845470
C -5.902080 -0.270017 0.446188
H 3.487705 -2.038665 -0.685207
H 4.240825 -1.596203 0.889803
H 3.271604 0.570133 2.041661
H 1.981211 1.444817 1.155630
H 5.802200 -0.854092 -0.891216
H 4.463613 0.005390 -1.751364
H 3.559497 2.040121 -0.667275
H 4.295949 2.522281 0.913089
H 0.171458 0.252292 1.345922
H 0.163233 0.990777 -0.265092
H -1.452121 -1.458687 0.663095
H -1.049057 -1.244654 -1.033704
H -4.604933 1.459046 0.077395
H -5.994921 1.125155 -2.028965
H -4.238379 1.061901 -2.357753
H -5.194925 -0.458138 -2.281436
H -6.856914 0.277544 0.347584
H -5.645109 -0.335043 1.517268
H -6.045693 -1.294168 0.059330


