%chk=000187013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187013

0 1
O -3.635032 -1.056926 -1.577226
O 3.585865 -1.121094 -0.925477
O 1.270759 3.317783 -0.509523
O 2.716599 -1.508900 1.128104
N 0.085164 1.839369 0.568709
N 0.181665 2.961844 -0.141922
C -1.711612 0.138859 0.196020
C -3.131992 -0.281711 0.587523
C -1.282188 1.394327 0.968020
C -3.575948 -1.519129 -0.208708
C 1.241434 0.974443 0.940525
C -4.937991 -2.043021 0.236394
C 1.818060 0.271661 -0.297329
C 2.709584 -0.865623 0.104499
C 4.518974 -2.218905 -0.737337
H -1.002362 -0.691449 0.377534
H -1.682232 0.330816 -0.899984
H -3.196632 -0.491357 1.671165
H -3.840187 0.548085 0.382156
H -2.002926 2.226226 0.779903
H -1.287723 1.208206 2.065247
H -2.807707 -2.325345 -0.176590
H 2.027476 1.613209 1.409959
H 0.933737 0.227179 1.706619
H -5.724773 -1.292493 0.083979
H -4.943278 -2.308485 1.299858
H -5.232343 -2.939866 -0.319668
H 2.367900 1.004277 -0.936902
H 1.009288 -0.115432 -0.957562
H -4.152314 -1.664808 -2.133001
H 5.205197 -2.095955 -1.582200
H 3.971169 -3.164339 -0.788341
H 5.031569 -2.117544 0.225055


%chk=000187013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187013

0 1
O -3.688968 -1.148567 -1.619940
O 3.704094 -1.115438 -1.036175
O 1.423649 3.330737 -0.236266
O 3.034667 -1.323159 1.184822
N 0.075037 1.748163 0.608619
N 0.204190 2.998400 0.032255
C -1.777105 0.080664 0.184416
C -3.221696 -0.296006 0.576915
C -1.299954 1.336254 0.947653
C -3.744118 -1.523830 -0.187827
C 1.253828 0.914148 0.924761
C -5.172728 -1.919390 0.224851
C 1.862232 0.246616 -0.330459
C 2.900441 -0.792610 0.056517
C 4.740277 -2.150062 -0.791782
H -1.105227 -0.773910 0.406917
H -1.737325 0.259199 -0.904567
H -3.280412 -0.507637 1.663802
H -3.901272 0.553928 0.367313
H -1.943468 2.200945 0.706264
H -1.363194 1.156444 2.040772
H -3.056606 -2.382265 -0.008296
H 2.015674 1.565573 1.391209
H 0.950756 0.148459 1.657214
H -5.872396 -1.086957 0.029053
H -5.218945 -2.170489 1.300745
H -5.523272 -2.805180 -0.339095
H 2.316737 1.002348 -0.991701
H 1.073595 -0.261751 -0.918225
H -4.081414 -1.878924 -2.161896
H 5.244509 -2.273929 -1.759995
H 4.270615 -3.091934 -0.461868
H 5.444996 -1.805939 -0.016507


