%chk=000201927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201927

0 1
O 2.861704 -0.481369 0.315070
O 1.238703 -0.976613 -1.179583
N -0.247820 1.409190 -0.107266
N 0.495006 2.715049 1.599114
C -1.103406 0.830179 -1.181829
C -2.120785 -0.103362 -0.548614
C 1.004353 0.902469 0.304813
C -1.739079 1.938852 -2.018565
C -0.522327 2.501969 0.709878
C -1.866222 -1.482951 -0.576022
C -3.285589 0.377966 0.062943
C 1.436570 1.735832 1.358836
C 1.651963 -0.262627 -0.281608
C 3.659461 -1.649726 -0.141428
C -2.781038 -2.373697 -0.009646
C -4.197834 -0.517184 0.629702
C -3.948766 -1.892647 0.591928
C 5.063181 -1.265573 0.291206
C 3.106184 -2.882265 0.550390
H -0.419037 0.223454 -1.857743
H -2.426579 2.573833 -1.448425
H -2.320732 1.502129 -2.843476
H -0.979170 2.593091 -2.466572
H -1.418026 3.101957 0.645259
H -0.944504 -1.857814 -1.033293
H -3.484955 1.446970 0.102140
H 2.356328 1.656028 1.918575
H 3.552491 -1.708636 -1.247587
H -2.581859 -3.444040 -0.034760
H -5.102791 -0.140860 1.103972
H -4.660907 -2.587825 1.033235
H 5.788102 -2.044375 0.029562
H 5.383624 -0.327917 -0.182359
H 5.120395 -1.103894 1.376581
H 3.737376 -3.760676 0.375909
H 2.096850 -3.119738 0.184555
H 3.030533 -2.737381 1.636008


%chk=000201927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201927

0 1
O 2.779692 -0.450023 0.466660
O 1.267481 -0.872430 -1.271293
N -0.209748 1.585257 -0.308118
N 0.548233 3.041580 1.274765
C -1.130062 0.926046 -1.288188
C -2.003744 -0.133869 -0.602939
C 1.000073 1.055876 0.196984
C -1.981853 1.978052 -2.031396
C -0.433030 2.767731 0.377020
C -2.018992 -1.458473 -1.102441
C -2.829680 0.197250 0.500820
C 1.439017 1.979511 1.165943
C 1.643740 -0.164709 -0.293165
C 3.561820 -1.683242 0.086272
C -2.861220 -2.434055 -0.521271
C -3.665117 -0.777693 1.087553
C -3.687900 -2.096053 0.574177
C 4.992028 -1.409187 0.556419
C 2.907025 -2.904358 0.747702
H -0.477094 0.411881 -2.012170
H -2.710939 2.471453 -1.364783
H -2.557587 1.470195 -2.823424
H -1.344619 2.748171 -2.501182
H -1.293521 3.405522 0.197227
H -1.354229 -1.726729 -1.931308
H -2.812672 1.212440 0.916626
H 2.345268 1.920896 1.762591
H 3.507972 -1.774521 -1.014597
H -2.863963 -3.456296 -0.915891
H -4.294876 -0.512608 1.944267
H -4.337286 -2.852379 1.029175
H 5.641903 -2.265436 0.299910
H 5.398680 -0.504377 0.073510
H 5.021744 -1.264569 1.650693
H 3.481093 -3.817296 0.503997
H 1.874242 -3.038987 0.385123
H 2.889517 -2.786771 1.845630


