%chk=000269078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269078

0 1
I 3.508864 2.122540 -0.000099
O -0.980576 3.255880 0.000237
N 0.171579 2.487275 0.000194
C 0.463353 -1.117475 0.000290
C -1.001576 -0.971550 0.000196
C 1.062300 0.194572 0.000239
C -1.309740 0.425057 0.000065
C -0.039831 1.204687 0.000080
C 1.239476 -2.261357 0.000384
C -2.012531 -1.916991 0.000186
C 2.437751 0.301069 0.000222
C -2.622073 0.862588 -0.000088
C 2.641814 -2.122117 0.000382
C 3.231945 -0.863028 0.000298
C -3.348232 -1.465730 0.000016
C -3.647202 -0.105378 -0.000131
H 0.784375 -3.249880 0.000477
H -1.792029 -2.981386 0.000320
H -2.859121 1.927425 -0.000178
H 3.267535 -3.014859 0.000432
H 4.321476 -0.776998 0.000291
H -4.154566 -2.198711 0.000002
H -4.685957 0.223206 -0.000279
H -0.607636 4.204062 0.000562


%chk=000269078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269078

0 1
I 3.547880 2.166138 0.000322
O -1.004553 3.283446 0.000048
N 0.222731 2.501152 0.000127
C 0.468785 -1.109709 0.000221
C -0.998538 -0.950176 0.000148
C 1.071116 0.198303 0.000222
C -1.312562 0.446353 0.000105
C -0.034283 1.201128 0.000153
C 1.248534 -2.278664 0.000284
C -2.021003 -1.917112 0.000121
C 2.478336 0.298975 0.000292
C -2.655890 0.879936 0.000035
C 2.657045 -2.153853 0.000351
C 3.269422 -0.879117 0.000356
C -3.368555 -1.480428 0.000052
C -3.680823 -0.098415 0.000010
H 0.779601 -3.267855 0.000280
H -1.788083 -2.987527 0.000151
H -2.892906 1.944512 0.000002
H 3.290591 -3.047197 0.000402
H 4.360169 -0.800446 0.000409
H -4.178574 -2.218189 0.000030
H -4.729530 0.218300 -0.000042
H -0.659512 4.213347 0.000018


