%chk=000293648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293648

0 1
O -1.185375 -0.514834 1.077659
N -0.743135 1.167974 -0.587994
C -0.281617 -0.101232 0.036140
C -2.191167 1.344012 -0.905451
C 1.045591 0.146931 0.832428
C -3.026426 0.860789 0.303617
C -2.598637 -0.540347 0.747964
C -0.143657 -1.253330 -1.000737
C 2.204458 0.530740 -0.107770
C -2.610180 0.596387 -2.192407
C -2.416888 2.856443 -1.115439
C 0.827691 1.204475 1.917014
C 0.120317 -2.608646 -0.337453
C -3.252613 -0.983357 2.051101
C 3.570588 0.312589 0.556022
C 4.721035 0.697624 -0.384889
C 0.057005 -3.757378 -1.340869
C 6.083072 0.481260 0.271269
H 1.286690 -0.824054 1.335807
H -0.147435 1.436699 -1.373947
H -4.102776 0.890185 0.069443
H -2.871095 1.566191 1.146860
H -2.750201 -1.291190 -0.058132
H 0.671579 -1.015576 -1.710123
H -1.068672 -1.313156 -1.612413
H 2.101306 1.590038 -0.412933
H 2.150998 -0.065515 -1.040918
H -3.684256 0.690247 -2.375089
H -2.097557 0.990518 -3.074348
H -2.376602 -0.476413 -2.129905
H -2.045354 3.428609 -0.255161
H -1.890307 3.231086 -1.998074
H -3.478564 3.086177 -1.239284
H 0.579740 2.179880 1.480188
H -0.022021 0.921886 2.554811
H 1.711748 1.323257 2.547744
H -0.618604 -2.767945 0.476357
H 1.111417 -2.597249 0.158683
H -2.992133 -0.303677 2.873671
H -4.342062 -1.018605 1.966264
H -2.894131 -1.977606 2.346765
H 3.676283 -0.744631 0.866100
H 3.634096 0.906302 1.488897
H 4.658521 0.105900 -1.318769
H 4.618023 1.757335 -0.690095
H -0.932399 -3.837269 -1.804045
H 0.788267 -3.631006 -2.146901
H 0.268469 -4.716395 -0.854342
H 6.898039 0.759309 -0.405942
H 6.192138 1.082935 1.180857
H 6.232991 -0.567065 0.553269


%chk=000293648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293648

0 1
O -1.275240 -0.580059 1.136036
N -0.776358 1.088168 -0.547305
C -0.325890 -0.180055 0.069413
C -2.192603 1.388931 -0.878637
C 1.020007 0.070666 0.839112
C -3.059589 0.909901 0.318652
C -2.706360 -0.522154 0.760211
C -0.213056 -1.362592 -0.955140
C 2.199292 0.392367 -0.121645
C -2.693910 0.750152 -2.216009
C -2.306360 2.929393 -1.011835
C 0.853586 1.154709 1.926775
C 0.345332 -2.688341 -0.389515
C -3.474736 -0.979184 2.002932
C 3.581863 0.433087 0.571780
C 4.750572 0.587031 -0.428980
C 0.177071 -3.861234 -1.380315
C 6.130137 0.643897 0.262266
H 1.250074 -0.886715 1.349404
H -0.101794 1.474010 -1.215311
H -4.130840 0.967149 0.043702
H -2.884775 1.584140 1.178699
H -2.897759 -1.234814 -0.072772
H 0.398599 -1.031559 -1.818816
H -1.221987 -1.559097 -1.365774
H 2.024262 1.374086 -0.612811
H 2.249451 -0.365414 -0.929291
H -3.703314 1.124866 -2.472259
H -2.011261 1.015784 -3.045129
H -2.746685 -0.350801 -2.161897
H -1.941662 3.416037 -0.090774
H -1.698741 3.297428 -1.861935
H -3.353961 3.235651 -1.189111
H 0.679280 2.144685 1.468933
H -0.013193 0.917311 2.564725
H 1.752246 1.211703 2.567202
H -0.177094 -2.914956 0.559731
H 1.419016 -2.575854 -0.141286
H -3.274138 -0.296537 2.847843
H -4.562417 -0.988635 1.806338
H -3.160703 -1.995056 2.299180
H 3.723369 -0.499882 1.157490
H 3.619531 1.267502 1.298869
H 4.729348 -0.258114 -1.147415
H 4.597952 1.508242 -1.028348
H -0.891377 -4.036120 -1.610545
H 0.694763 -3.654438 -2.336616
H 0.591139 -4.800549 -0.969132
H 6.949436 0.750864 -0.472458
H 6.187782 1.500349 0.960421
H 6.317896 -0.276647 0.846851


