%chk=000221238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221238

0 1
O -3.299301 -1.291800 2.210948
N 4.423933 -1.224603 0.286345
N 0.703728 -0.334623 -0.906767
N -2.362426 2.371477 -1.869159
C 3.242125 -1.996619 -0.220364
C 2.825923 -1.440772 -1.595232
C 2.073435 -0.106783 -1.469271
C 4.354660 -1.013597 1.769944
C 5.711729 -1.877606 -0.122192
C -0.088275 0.936664 -0.889381
C -1.470242 0.694644 -0.334121
C -2.587578 1.452626 -0.848632
C 3.298635 0.045534 2.091619
C 6.859022 -0.868324 -0.043739
C -3.889483 1.247274 -0.303557
C -1.680098 -0.211860 0.680338
C -2.990276 -0.404476 1.204408
C -4.084845 0.302095 0.734736
C -4.971609 2.023587 -0.840292
C -4.730340 2.924138 -1.842387
C -3.389432 3.069090 -2.336770
C -2.226018 -2.078958 2.781878
H 2.383734 -1.884049 0.482229
H 3.438624 -3.085870 -0.296926
H 3.724385 -1.280216 -2.224591
H 2.208376 -2.191013 -2.122759
H 2.056871 0.408236 -2.453670
H 2.628768 0.558435 -0.765637
H 4.140897 -1.950444 2.327984
H 5.348732 -0.655785 2.120470
H 5.607154 -2.224031 -1.174701
H 5.952040 -2.776622 0.485466
H 0.207802 -1.028580 -1.479280
H -0.144031 1.427352 -1.891246
H 0.432893 1.667041 -0.223325
H 3.208840 0.202315 3.169607
H 2.309380 -0.232739 1.699668
H 3.554580 1.005504 1.625266
H 6.599848 0.056638 -0.577188
H 7.085064 -0.584289 0.990206
H 7.771803 -1.273163 -0.490751
H -0.836186 -0.778870 1.077238
H -5.072380 0.135352 1.155836
H -5.971770 1.877555 -0.432984
H -5.522766 3.530768 -2.273684
H -3.182305 3.786021 -3.140019
H -2.762697 -2.674409 3.532113
H -1.485867 -1.426933 3.254719
H -1.776755 -2.721214 2.018909


%chk=000221238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221238

0 1
O -2.906501 -1.365184 2.255937
N 4.139497 -1.165909 0.418936
N 0.725359 -0.640209 -1.321109
N -2.233696 2.417655 -1.869114
C 3.170465 -2.129240 -0.170049
C 2.884593 -1.843227 -1.661940
C 2.101713 -0.531138 -1.865213
C 3.872159 -0.885414 1.855570
C 5.551677 -1.543714 0.145258
C -0.055722 0.617341 -1.392673
C -1.345163 0.550147 -0.584930
C -2.409327 1.483041 -0.854895
C 2.695077 0.089352 2.057169
C 6.518418 -0.344422 0.185629
C -3.622707 1.422288 -0.057636
C -1.503055 -0.394041 0.435471
C -2.701353 -0.444329 1.216731
C -3.750663 0.450018 0.974771
C -4.654772 2.375473 -0.354402
C -4.462050 3.308243 -1.373573
C -3.231207 3.289745 -2.107345
C -1.821910 -2.300517 2.567421
H 2.212766 -2.039304 0.372266
H 3.522201 -3.184079 -0.046661
H 3.836146 -1.782936 -2.225611
H 2.315471 -2.693989 -2.094332
H 2.110075 -0.253204 -2.947761
H 2.628234 0.270060 -1.312487
H 3.684154 -1.831531 2.425289
H 4.782151 -0.435710 2.293673
H 5.588407 -1.988743 -0.866876
H 5.906417 -2.339859 0.849949
H 0.213746 -1.411244 -1.778003
H -0.302833 0.938650 -2.428212
H 0.577827 1.428464 -0.979280
H 2.486309 0.233521 3.134408
H 1.773341 -0.278362 1.570412
H 2.935546 1.070300 1.610521
H 6.206005 0.418973 -0.548112
H 6.542203 0.132466 1.182043
H 7.548564 -0.668752 -0.054258
H -0.668687 -1.080431 0.609913
H -4.657056 0.393983 1.586425
H -5.583749 2.358828 0.227464
H -5.229949 4.047605 -1.622520
H -3.061791 4.011587 -2.915744
H -2.197397 -2.899943 3.409798
H -0.901054 -1.765560 2.870416
H -1.599578 -2.962652 1.708571


