%chk=000217681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217681

0 1
O -0.643622 0.000566 -0.637278
N -1.052065 1.605605 1.055566
C -1.665339 0.458951 0.316748
C -1.987421 -0.732597 1.234190
C -2.876142 0.948867 -0.495283
C -2.674880 -1.859208 0.452256
C -3.552144 -0.207880 -1.238711
C -3.921867 -1.349474 -0.282354
C 0.454711 0.935447 -0.718693
C 0.049947 2.123262 0.194677
C 1.730313 0.255240 -0.277250
C 2.945386 0.952474 -0.356151
C 1.713174 -1.064630 0.190151
C 4.131655 0.331862 0.043299
C 2.902341 -1.681675 0.588094
C 4.112223 -0.984291 0.517867
H -2.641001 -0.391263 2.060542
H -1.058415 -1.116698 1.696553
H -2.552252 1.724565 -1.214498
H -3.590229 1.445296 0.190500
H -2.942719 -2.683371 1.137759
H -1.956767 -2.278895 -0.282860
H -2.861986 -0.587143 -2.020842
H -4.452163 0.158243 -1.764870
H -0.683020 1.319421 1.969147
H 0.506870 1.212808 -1.794067
H -4.392337 -2.176601 -0.845449
H -4.678549 -1.003877 0.446871
H 0.890027 2.516575 0.795661
H -0.345256 2.968381 -0.407896
H 2.969419 1.973422 -0.730809
H 0.762596 -1.602971 0.226191
H 5.073865 0.873539 -0.017232
H 2.885622 -2.708166 0.949960
H 5.037723 -1.464886 0.827910


%chk=000217681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217681

0 1
O -0.641602 -0.142855 -0.604439
N -0.980110 1.386998 1.193546
C -1.688377 0.379573 0.394589
C -2.160156 -0.813668 1.242966
C -2.852358 0.986658 -0.422454
C -2.873406 -1.884407 0.385884
C -3.558370 -0.084967 -1.284316
C -4.045224 -1.269966 -0.417067
C 0.453757 0.842906 -0.687020
C -0.000687 2.014988 0.274383
C 1.789627 0.221397 -0.287739
C 2.996395 0.898902 -0.604103
C 1.858153 -1.001747 0.421124
C 4.244441 0.373365 -0.204004
C 3.107109 -1.530596 0.821914
C 4.304096 -0.844278 0.515309
H -2.853376 -0.427573 2.017279
H -1.286093 -1.254081 1.762669
H -2.473541 1.806084 -1.061534
H -3.568956 1.433429 0.294917
H -3.237730 -2.700377 1.039176
H -2.139634 -2.324446 -0.316267
H -2.843610 -0.457762 -2.043107
H -4.409214 0.372665 -1.824831
H -0.504140 0.946036 1.995876
H 0.515590 1.211611 -1.729954
H -4.512296 -2.043655 -1.056376
H -4.828489 -0.915829 0.285968
H 0.840116 2.452022 0.835265
H -0.488471 2.814573 -0.309186
H 2.960527 1.838962 -1.170722
H 0.927444 -1.541907 0.620479
H 5.168132 0.906313 -0.457367
H 3.146132 -2.481672 1.365731
H 5.272020 -1.255795 0.823111


