%chk=000118056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118056

0 1
O -1.573793 -1.219481 1.411974
N -1.854510 1.527580 0.797199
N -2.766281 0.594921 -1.254515
C -1.251230 -0.777389 0.071904
C -2.042574 0.515154 -0.175172
C 0.241018 -0.548975 0.027795
C -3.966752 2.514267 -0.160762
C -2.708407 2.741764 0.693586
C -3.596404 1.792281 -1.470637
C 4.519011 0.053944 -0.192347
C 3.017416 -0.153185 -0.125379
C 0.816531 -0.048379 -1.150431
C 1.053871 -0.847188 1.126909
C 2.195404 0.146570 -1.223994
C 2.435131 -0.650612 1.049172
C 4.847585 1.534542 -0.423353
C 5.136201 -0.832602 -1.281704
C -2.774922 -2.019022 1.522061
C -2.554119 -3.423090 0.986271
H -1.546335 -1.559629 -0.670381
H -4.457636 3.479293 -0.377028
H -4.706209 1.911952 0.400284
H -2.079171 3.537525 0.227615
H -2.985253 3.099143 1.706692
H -4.513773 1.454290 -2.002855
H -3.062374 2.484062 -2.159927
H -1.666108 1.198545 1.745114
H 4.970325 -0.246915 0.789229
H 0.183179 0.194174 -2.004821
H 0.600628 -1.235186 2.041434
H 2.636250 0.535891 -2.139774
H 3.057165 -0.886502 1.910290
H 5.927637 1.710361 -0.389639
H 4.380929 2.165997 0.341627
H 4.487898 1.885465 -1.396835
H 6.228083 -0.751953 -1.285955
H 4.782970 -0.556612 -2.281310
H 4.878770 -1.886537 -1.125596
H -2.926977 -2.009462 2.618870
H -3.611170 -1.502767 1.019623
H -3.344879 -4.107044 1.313443
H -2.530929 -3.448212 -0.110184
H -1.594494 -3.828179 1.336310


%chk=000118056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118056

0 1
O -1.528307 -1.386651 1.534495
N -2.207534 1.239737 1.000535
N -2.478391 0.617730 -1.322342
C -1.239776 -0.874505 0.185225
C -2.050759 0.403069 -0.095499
C 0.265547 -0.609937 0.087712
C -3.878890 2.485252 -0.299953
C -2.877087 2.543028 0.878323
C -3.181835 1.910557 -1.560000
C 4.573251 0.176433 -0.289358
C 3.071655 -0.096638 -0.161952
C 0.808499 -0.147978 -1.138465
C 1.131640 -0.818962 1.184341
C 2.190100 0.102591 -1.258460
C 2.516744 -0.561333 1.055216
C 4.857509 1.665833 -0.622288
C 5.237355 -0.757184 -1.336772
C -2.862239 -2.013348 1.661585
C -2.923701 -3.415873 1.037520
H -1.536920 -1.605426 -0.591892
H -4.283048 3.494308 -0.501119
H -4.726023 1.829837 -0.021817
H -2.133410 3.348035 0.700009
H -3.400306 2.779525 1.823457
H -3.922831 1.747889 -2.363840
H -2.448289 2.646352 -1.952344
H -1.851089 0.903383 1.896888
H 5.036122 -0.041704 0.694654
H 0.135550 0.022823 -1.987127
H 0.716040 -1.190939 2.124796
H 2.586014 0.457379 -2.218063
H 3.177931 -0.728164 1.915477
H 5.946498 1.854828 -0.668593
H 4.419437 2.335183 0.139928
H 4.424437 1.941095 -1.602048
H 6.328254 -0.578888 -1.382283
H 4.823153 -0.577989 -2.346594
H 5.068300 -1.820137 -1.087141
H -3.028846 -2.067108 2.751570
H -3.633678 -1.347701 1.221176
H -3.909927 -3.875081 1.239062
H -2.787566 -3.385613 -0.057856
H -2.141881 -4.064906 1.468645


