%chk=000210076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210076

0 1
O 0.477968 0.920525 0.416715
N -3.562886 -0.421846 -0.148784
C -3.194222 0.545978 0.938292
C -1.830018 1.189280 0.647416
C -0.755266 0.128814 0.420835
C -3.938168 0.291571 -1.405633
C -4.687933 -1.296931 0.300256
C 1.665710 0.274399 0.179701
C 1.808158 -1.098301 -0.060716
C 2.777357 1.145062 0.201398
C 3.095030 -1.602036 -0.283332
C 4.041816 0.613250 -0.023136
C 4.207433 -0.759531 -0.265929
H -3.952261 1.344966 1.087622
H -3.136300 -0.016460 1.897071
H -1.885037 1.858395 -0.234176
H -1.534540 1.843427 1.493714
H -0.861289 -0.381636 -0.551484
H -0.696005 -0.606037 1.239477
H -3.080424 0.892881 -1.748964
H -4.811743 0.953686 -1.320345
H -4.143402 -0.452969 -2.191503
H -4.914027 -2.024528 -0.496203
H -5.617127 -0.766781 0.553981
H -4.364741 -1.876471 1.179675
H 0.954063 -1.765403 -0.078971
H 2.623181 2.203412 0.391278
H 3.223871 -2.667670 -0.472359
H 4.913064 1.267863 -0.010719
H 5.201038 -1.161910 -0.439778


%chk=000210076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210076

0 1
O 0.479957 1.021069 0.418631
N -3.596867 -0.432598 -0.148852
C -3.244857 0.470907 0.975075
C -1.895228 1.194021 0.782841
C -0.749460 0.211819 0.532357
C -3.820521 0.282167 -1.422181
C -4.733203 -1.312779 0.191148
C 1.686870 0.349559 0.169438
C 1.807657 -1.056494 0.028733
C 2.832700 1.178688 0.061843
C 3.081908 -1.619472 -0.219360
C 4.093528 0.601690 -0.185538
C 4.228067 -0.802152 -0.327968
H -4.041456 1.241153 1.151530
H -3.193626 -0.149798 1.891517
H -1.943362 1.915640 -0.053182
H -1.675749 1.782995 1.693273
H -0.918744 -0.364030 -0.397489
H -0.651385 -0.503581 1.375770
H -2.909730 0.825723 -1.726889
H -4.661323 1.020604 -1.369594
H -4.056243 -0.448600 -2.216070
H -4.912572 -2.025489 -0.633810
H -5.687138 -0.755990 0.377958
H -4.495655 -1.895104 1.099603
H 0.933695 -1.709463 0.107617
H 2.709363 2.260343 0.174451
H 3.172722 -2.706519 -0.327674
H 4.974301 1.248637 -0.267748
H 5.209651 -1.247949 -0.520032


