%chk=000200131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200131

0 1
O 5.809138 0.580480 -0.000092
N -0.515196 -0.023547 0.000247
N 1.213346 1.669572 0.000162
N 0.085808 -2.368030 0.000184
N -2.845078 0.627428 0.000235
C 0.453766 -1.104583 0.000250
C -0.062760 1.351005 0.000240
C -1.933174 -0.319703 0.000271
C 1.857178 -0.711418 0.000132
C -1.108690 2.376697 0.000234
C -2.297555 -1.738653 0.000197
C 2.208284 0.671358 0.000105
C -1.276939 -2.722619 0.000136
C -2.471364 1.985544 0.000241
C 2.883662 -1.681269 0.000041
C -0.784601 3.751850 0.000214
C -3.650082 -2.146198 0.000174
C 3.551883 1.065411 0.000017
C -1.613597 -4.096298 0.000035
C -3.492523 2.963798 0.000252
C 4.539687 0.069775 -0.000044
C 4.218274 -1.305660 -0.000061
C -1.794585 4.703046 0.000215
C -3.968894 -3.496516 0.000092
C -2.948978 -4.469209 0.000014
C -3.147154 4.306665 0.000236
C 6.924600 -0.346920 -0.000114
H 2.611257 -2.743393 0.000086
H 0.268649 4.051659 0.000205
H -4.436647 -1.384850 0.000237
H 3.823906 2.121223 0.000004
H -0.813665 -4.837392 -0.000023
H -4.534579 2.641819 0.000277
H 4.995295 -2.062723 -0.000183
H -1.546522 5.763407 0.000195
H -5.010936 -3.812100 0.000091
H -3.218973 -5.526512 -0.000079
H -3.927564 5.069520 0.000232
H 6.910888 -0.957171 -0.907599
H 6.910868 -0.957242 0.907325
H 7.782064 0.339848 -0.000082


%chk=000200131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200131

0 1
O 5.869494 0.600479 -0.000048
N -0.523528 -0.021001 0.000143
N 1.203909 1.696041 0.000128
N 0.097798 -2.375085 0.000070
N -2.871860 0.617761 0.000209
C 0.441088 -1.092834 0.000095
C -0.075157 1.348329 0.000161
C -1.932689 -0.318816 0.000172
C 1.845550 -0.693916 0.000058
C -1.124820 2.370458 0.000202
C -2.293581 -1.738000 0.000143
C 2.188591 0.699175 0.000076
C -1.256793 -2.725221 0.000094
C -2.497873 1.966841 0.000225
C 2.878382 -1.663859 0.000004
C -0.791137 3.750334 0.000219
C -3.655724 -2.138530 0.000163
C 3.546927 1.088322 0.000040
C -1.607645 -4.103729 0.000067
C -3.516759 2.958975 0.000265
C 4.561062 0.108586 -0.000013
C 4.228277 -1.279929 -0.000031
C -1.807885 4.719821 0.000259
C -3.987366 -3.503558 0.000135
C -2.958353 -4.487767 0.000088
C -3.174600 4.321065 0.000282
C 6.969785 -0.369995 -0.000091
H 2.590927 -2.719174 -0.000009
H 0.267892 4.023664 0.000200
H -4.421857 -1.357984 0.000200
H 3.804620 2.149872 0.000054
H -0.797737 -4.839199 0.000030
H -4.558416 2.624539 0.000282
H 5.007958 -2.046646 -0.000072
H -1.549180 5.783843 0.000272
H -5.038133 -3.811729 0.000151
H -3.222509 -5.551023 0.000067
H -3.963518 5.081144 0.000313
H 6.944056 -1.006060 -0.905536
H 6.944097 -1.006093 0.905333
H 7.885201 0.238998 -0.000101


