%chk=000194320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194320

0 1
O 1.669882 2.625748 -0.506217
O -0.697240 -0.163979 2.546068
O 2.656997 2.981218 1.501950
O -0.893896 -0.508656 -1.761466
N 0.110826 0.721857 0.595027
N -2.181218 -1.347939 -0.081825
N 4.863424 -0.660854 -1.548008
N 5.663094 -1.745224 0.523347
N 6.953381 -0.086297 -0.628921
C 1.487103 0.866105 1.103017
C 2.451882 -0.196418 0.534980
C -2.233994 -0.058929 0.645302
C 2.465889 -0.253455 -0.994828
C -3.364607 -0.051316 1.687100
C -0.875839 0.133686 1.377366
C 2.013135 2.269967 0.769772
C 3.509923 -1.235157 -1.551672
C -4.708202 -0.343059 1.081476
C -5.368700 -1.543941 1.380986
C -5.311551 0.584241 0.217371
C -1.524527 -1.456216 -1.310581
C -6.620095 -1.813492 0.819056
C -6.560860 0.307968 -0.342972
C 2.177105 3.898227 -1.029574
C -7.217394 -0.890970 -0.044815
C -1.635754 -2.790013 -1.985376
C 5.726902 -0.840201 -0.589167
C 3.631859 3.741632 -1.415586
H 1.468432 0.778442 2.233733
H 2.165250 -1.183734 0.949129
H 3.471200 0.022708 0.914459
H -2.389776 0.774276 -0.096569
H 1.462700 -0.539176 -1.380608
H 2.654318 0.762739 -1.411001
H -3.381014 0.939966 2.194406
H -3.121750 -0.761647 2.511239
H -0.006764 0.821873 -0.428765
H 3.282798 -1.423700 -2.631486
H 3.434866 -2.221164 -1.047260
H -2.709292 -2.118410 0.318826
H -4.916974 -2.263092 2.061198
H -4.808854 1.521014 -0.015692
H -7.131800 -2.744612 1.058515
H -7.025833 1.030161 -1.013038
H 2.017045 4.679663 -0.266226
H 1.505738 4.044094 -1.895358
H -8.191463 -1.102354 -0.481200
H -2.675637 -3.050758 -2.228203
H -1.079657 -2.776571 -2.938836
H -1.216380 -3.605867 -1.381191
H 4.271748 3.627204 -0.527226
H 3.793262 2.849510 -2.038185
H 3.996493 4.609805 -1.975920
H 6.242304 -1.506485 1.321706
H 4.726582 -1.987870 0.823924
H 7.789147 -0.657734 -0.540792
H 7.025985 0.501389 -1.460787


%chk=000194320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194320

0 1
O 1.242966 3.076087 -0.750399
O -0.540929 0.087314 2.578465
O 2.921686 3.410195 0.836574
O -1.099104 0.257538 -1.923931
N 0.089825 1.110712 0.576352
N -2.065719 -0.998999 -0.232354
N 5.019432 -0.823984 -0.245152
N 5.893648 -3.095524 -0.247228
N 7.140992 -1.314478 0.639193
C 1.437212 1.460360 1.050243
C 2.472472 0.309262 0.844751
C -2.168617 0.145328 0.700476
C 2.691389 -0.103724 -0.624001
C -3.242999 -0.122238 1.781694
C -0.793896 0.436921 1.381108
C 1.952662 2.746830 0.404726
C 3.699280 -1.267719 -0.736284
C -4.592405 -0.534817 1.211352
C -5.108674 -1.835273 1.445043
C -5.363519 0.366151 0.430374
C -1.577811 -0.853617 -1.513487
C -6.357821 -2.230494 0.910816
C -6.610681 -0.022725 -0.104546
C 1.716867 4.272846 -1.513552
C -7.112595 -1.324990 0.131791
C -1.641431 -2.083834 -2.408162
C 5.947414 -1.714200 0.014835
C 2.844701 3.887108 -2.474303
H 1.369391 1.643364 2.139038
H 2.106970 -0.555136 1.432676
H 3.439930 0.622056 1.277516
H -2.438697 1.026469 0.086957
H 1.730799 -0.400202 -1.090706
H 3.092706 0.748923 -1.204571
H -3.336604 0.803840 2.378354
H -2.851724 -0.886708 2.477180
H -0.161032 1.268862 -0.412573
H 3.756608 -1.578820 -1.805442
H 3.302828 -2.143858 -0.162988
H -2.468876 -1.891012 0.061017
H -4.537147 -2.536718 2.066912
H -4.986943 1.379994 0.244185
H -6.742063 -3.237742 1.108310
H -7.193350 0.687920 -0.701672
H 2.047405 5.038436 -0.789495
H 0.814240 4.612170 -2.045994
H -8.081861 -1.625901 -0.281136
H -2.252965 -1.849424 -3.296519
H -0.625901 -2.327037 -2.765108
H -2.068276 -2.969030 -1.906399
H 3.737916 3.557287 -1.917875
H 2.522965 3.077017 -3.151239
H 3.124366 4.762627 -3.089560
H 6.449130 -3.742990 0.307937
H 5.103403 -3.468915 -0.765021
H 8.016339 -1.764405 0.373852
H 7.176297 -0.326902 0.888572


