%chk=000222738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222738

0 1
O -0.295783 -0.176499 -0.063413
N -3.954808 -0.258318 0.013262
C 2.052840 -0.470670 -0.257696
C 0.805000 0.121232 -0.960538
C 2.293482 0.279011 1.067049
C 1.201151 2.369994 0.152810
C 0.931339 1.637657 -1.176256
C 2.455103 1.786551 0.834087
C 1.887691 -1.998440 -0.037040
C 1.353387 3.877200 -0.076299
C 1.722283 -2.733361 -1.376185
C 3.081010 -2.592197 0.723359
C -1.609622 -0.059409 -0.659954
C -2.549464 -0.325839 0.527003
C -4.884574 0.231177 1.074184
C -4.402581 -1.590282 -0.492849
H 2.927547 -0.298758 -0.929972
H 0.615099 -0.390754 -1.930194
H 3.189976 -0.117834 1.576472
H 1.435145 0.094036 1.745154
H 0.321651 2.190320 0.822654
H 0.005984 2.031010 -1.635455
H 1.742553 1.841865 -1.898321
H 2.630361 2.296891 1.798640
H 3.351350 1.984024 0.218132
H 0.958408 -2.152910 0.569185
H 2.200712 4.107345 -0.730476
H 0.456504 4.302355 -0.539035
H 1.515519 4.407589 0.868081
H 2.584898 -2.581733 -2.032439
H 1.615726 -3.812301 -1.220632
H 0.828153 -2.395132 -1.911364
H 4.025858 -2.407377 0.201988
H 2.975474 -3.676430 0.836655
H 3.169299 -2.169051 1.729919
H -1.748148 0.952902 -1.075325
H -1.709446 -0.809964 -1.460752
H -2.284955 -1.291792 1.006679
H -2.374776 0.453128 1.300627
H -4.585240 1.250289 1.368423
H -4.929322 -0.393858 1.977598
H -5.900582 0.304002 0.653864
H -5.394587 -1.477419 -0.958839
H -4.466885 -2.378948 0.270931
H -3.711129 -1.929907 -1.280125


%chk=000222738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222738

0 1
O -0.313197 -0.167798 0.116238
N -4.049531 -0.212035 0.193375
C 2.081638 -0.479733 -0.129294
C 0.806950 0.062850 -0.825232
C 2.435145 0.423831 1.084299
C 1.286457 2.450148 0.006973
C 0.946506 1.554366 -1.206308
C 2.566582 1.915030 0.694696
C 1.964285 -1.987617 0.263165
C 1.429650 3.929378 -0.405415
C 1.428009 -2.864916 -0.895352
C 3.322422 -2.553142 0.749878
C -1.641430 0.077957 -0.453575
C -2.647653 -0.574969 0.507160
C -4.961196 -0.506044 1.317952
C -4.534845 -0.803597 -1.070419
H 2.900475 -0.390599 -0.880051
H 0.603055 -0.519629 -1.752025
H 3.379669 0.082719 1.546949
H 1.636639 0.312159 1.844159
H 0.452102 2.360770 0.734155
H 0.018594 1.909329 -1.697371
H 1.755193 1.641257 -1.963225
H 2.791681 2.520710 1.595272
H 3.425628 2.044538 0.000773
H 1.234873 -2.050703 1.095321
H 2.259950 4.059606 -1.127141
H 0.505681 4.306863 -0.883481
H 1.642969 4.570359 0.470764
H 2.054438 -2.758357 -1.803334
H 1.439354 -3.932376 -0.605349
H 0.387517 -2.604393 -1.157055
H 4.086777 -2.481054 -0.049283
H 3.223033 -3.620489 1.022435
H 3.706952 -2.019517 1.636623
H -1.858689 1.163789 -0.525243
H -1.695907 -0.360474 -1.475166
H -2.482202 -1.682676 0.511660
H -2.413180 -0.207888 1.523304
H -4.615886 0.020972 2.225014
H -5.035210 -1.597706 1.559053
H -5.976701 -0.142805 1.077124
H -5.571401 -0.470603 -1.257297
H -4.527106 -1.924486 -1.062357
H -3.916493 -0.463630 -1.918774


