%chk=000213974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213974

0 1
O 1.856706 -0.579995 0.700217
O 2.077675 0.770871 -1.166576
N 3.515654 0.922305 0.681054
C -2.178014 1.455432 -0.229329
C -0.651906 1.182465 -0.003744
C -2.844720 0.044729 -0.393609
C -0.516678 -0.302828 0.088803
C -1.756974 -0.953518 -0.136834
C -2.772296 2.181117 0.985678
C -2.389810 2.297957 -1.492719
C 0.598722 -1.090774 0.340331
C -1.862240 -2.338144 -0.105336
C 0.521770 -2.496560 0.370892
C -0.711122 -3.104874 0.151894
C 2.461426 0.414793 -0.077819
C 4.596405 1.646353 -0.024097
H -0.271168 1.685787 0.901193
H -0.037807 1.571251 -0.845012
H -3.265862 -0.086340 -1.406923
H -3.690695 -0.089994 0.302197
H -2.632480 1.600906 1.904868
H -2.300408 3.157459 1.139407
H -3.846137 2.356622 0.865255
H -3.452315 2.473963 -1.688089
H -1.908006 3.278027 -1.405425
H -1.966609 1.807610 -2.377626
H -2.816219 -2.828004 -0.278060
H 1.418089 -3.078339 0.568920
H -0.787014 -4.191360 0.175934
H 3.783726 0.427517 1.532079
H 4.199829 2.152800 -0.926478
H 5.417016 0.981493 -0.340356
H 5.000762 2.424075 0.647207


%chk=000213974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213974

0 1
O 1.800003 -0.440483 0.895941
O 2.233643 0.450432 -1.270611
N 3.649939 0.820519 0.573500
C -2.182169 1.475832 -0.320996
C -0.633310 1.216812 -0.248698
C -2.756715 0.088201 -0.785495
C -0.523142 -0.270590 0.029804
C -1.748982 -0.925584 -0.263883
C -2.720279 1.805744 1.096463
C -2.536787 2.614950 -1.299947
C 0.557781 -1.034337 0.505014
C -1.897617 -2.313206 -0.073212
C 0.428009 -2.425039 0.711662
C -0.800678 -3.060405 0.423983
C 2.545090 0.308572 -0.065494
C 4.659325 1.612697 -0.132117
H -0.140752 1.840748 0.521263
H -0.141653 1.449816 -1.213685
H -2.799570 0.044420 -1.893677
H -3.783358 -0.086465 -0.412668
H -2.475742 0.998259 1.811220
H -2.277094 2.745331 1.477157
H -3.819615 1.929557 1.081816
H -3.632320 2.758399 -1.363888
H -2.092153 3.573564 -0.971752
H -2.160826 2.397948 -2.317345
H -2.848143 -2.810089 -0.297660
H 1.284093 -2.988999 1.094711
H -0.899247 -4.139108 0.587855
H 3.759800 0.600656 1.563561
H 4.322524 1.742309 -1.172873
H 5.640376 1.102048 -0.141108
H 4.778869 2.610291 0.329058


