%chk=000253621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253621

0 1
O 2.759200 -0.352762 -2.019949
N -0.097641 0.080502 -1.250490
N -5.211374 1.319010 0.911027
C 0.988341 -0.423670 -0.367590
C 0.984423 -1.931728 -0.226807
C 2.293421 0.118573 -1.010350
C -1.388667 0.297916 -0.678290
C 2.919542 1.266248 -0.287989
C 1.401181 -2.764875 -1.273989
C 0.517051 -2.499888 0.968232
C -3.931987 0.956793 0.305751
C -2.519734 0.207222 -1.519948
C -1.544322 0.712509 0.659219
C -3.778548 0.541041 -1.028287
C -2.808627 1.039895 1.144829
C 1.356158 -4.153555 -1.124845
C 0.472724 -3.889022 1.112799
C 2.157391 2.396750 0.038172
C 4.283108 1.215216 0.031432
C 0.891866 -4.718081 0.067153
C -6.171222 0.174889 0.875564
C -5.789881 2.532042 0.258183
C 2.761164 3.471249 0.696043
C 4.878770 2.288857 0.699487
C 4.118730 3.415277 1.031248
H 0.878264 0.039318 0.655501
H -0.119740 -0.431332 -2.141467
H 1.780447 -2.327105 -2.202828
H 0.180645 -1.863126 1.785234
H -2.412080 -0.114190 -2.553226
H -0.678093 0.785187 1.314841
H -4.646789 0.475301 -1.682278
H -2.935015 1.362968 2.179733
H 1.685718 -4.795709 -1.940403
H 0.109051 -4.325792 2.041501
H 1.099874 2.441953 -0.234365
H 4.874942 0.341981 -0.246946
H 0.856794 -5.799940 0.181503
H -6.509751 -0.118412 -0.128229
H -5.700794 -0.701350 1.351308
H -7.054599 0.441546 1.477765
H -6.671809 2.853632 0.834824
H -5.050564 3.348680 0.303810
H -6.088972 2.397121 -0.790983
H 2.173897 4.353768 0.945809
H 5.936658 2.249777 0.954709
H 4.585651 4.253119 1.548182


%chk=000253621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253621

0 1
O 1.935105 0.658538 -2.475635
N -0.430345 0.429373 -1.327565
N -5.954645 0.712054 0.083843
C 0.687157 0.388133 -0.406203
C 0.911532 -0.995579 0.259193
C 1.969444 0.741122 -1.210338
C -1.782341 0.475838 -0.949479
C 3.226195 1.134830 -0.502404
C 1.044354 -2.146339 -0.556405
C 0.969390 -1.136243 1.665246
C -4.588984 0.628437 -0.253870
C -2.785969 0.639670 -1.945337
C -2.213558 0.377295 0.401511
C -4.149985 0.711991 -1.612351
C -3.580542 0.454748 0.740325
C 1.240099 -3.416045 0.027266
C 1.160962 -2.406957 2.253252
C 3.265735 1.486550 0.873800
C 4.427127 1.187644 -1.263646
C 1.301235 -3.550730 1.434910
C -6.957371 0.869037 -0.970065
C -6.364488 0.592731 1.482822
C 4.479760 1.880857 1.473807
C 5.639579 1.574440 -0.662423
C 5.669523 1.922643 0.710073
H 0.550798 1.135939 0.405632
H -0.173771 0.509378 -2.315140
H 0.977894 -2.041862 -1.645701
H 0.850140 -0.254029 2.308699
H -2.489272 0.715477 -2.999540
H -1.486808 0.212915 1.202866
H -4.875748 0.837397 -2.421321
H -3.856216 0.367622 1.795621
H 1.342619 -4.300568 -0.611518
H 1.192949 -2.505303 3.344278
H 2.353213 1.472220 1.476798
H 4.378045 0.921829 -2.324605
H 1.449147 -4.537320 1.888232
H -6.796066 1.795556 -1.561071
H -6.958708 0.014594 -1.681137
H -7.960457 0.931461 -0.517412
H -7.460224 0.686790 1.555110
H -6.077709 -0.387295 1.922060
H -5.914570 1.387101 2.116055
H 4.499522 2.157267 2.533418
H 6.559305 1.607426 -1.256326
H 6.611747 2.227169 1.179276


