%chk=000198996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198996

0 1
O 4.539722 -1.748686 0.595516
N 0.808991 0.494898 -1.319834
N -2.113187 0.329685 -0.826090
N -3.714367 -1.338363 -0.209177
N -3.553086 0.788625 1.013815
C 0.066432 -0.806302 -1.302872
C -0.090423 1.681764 -1.343425
C -1.408034 -0.638503 -1.708550
C -1.312495 1.526296 -0.423552
C 2.014404 0.558203 -0.572524
C -3.123775 -0.098827 0.027666
C 2.718250 -0.620860 -0.263136
C 2.587195 1.813555 -0.232661
C 3.972320 -0.515176 0.361457
C 3.830186 1.872711 0.385680
C 4.550093 0.714509 0.699463
C -4.788007 -1.657261 0.548826
C -4.631675 0.417081 1.740643
C -5.294462 -0.804257 1.542161
C 5.838941 -1.788860 1.233472
H 0.123619 -1.291135 -0.300200
H 0.574518 -1.484470 -2.028259
H -0.411617 1.823889 -2.402829
H 0.467075 2.608037 -1.065752
H -1.493203 -0.254871 -2.752576
H -1.915796 -1.633577 -1.699728
H -0.996504 1.451014 0.643477
H -1.975720 2.420788 -0.492037
H 2.346665 -1.610944 -0.503159
H 2.058099 2.734608 -0.466011
H 4.257097 2.845491 0.636443
H 5.514351 0.784190 1.182513
H -5.244184 -2.634897 0.344758
H -4.960202 1.130307 2.508035
H -6.157679 -1.079796 2.134731
H 5.783318 -1.351922 2.234568
H 6.583363 -1.285795 0.609683
H 6.031674 -2.868149 1.284265


%chk=000198996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198996

0 1
O 5.072725 -1.662849 0.527240
N 0.753676 0.362952 -0.203903
N -2.138289 0.082616 -0.130132
N -4.043859 -1.248814 -0.538606
N -4.195585 0.871464 0.702542
C 0.109421 -0.963806 -0.156874
C -0.134077 1.536954 -0.288457
C -1.286362 -0.919886 -0.802726
C -1.473074 1.280861 0.426947
C 2.150108 0.493329 -0.179560
C -3.493657 -0.104410 0.014023
C 2.977369 -0.615727 0.158002
C 2.785762 1.739093 -0.495500
C 4.383615 -0.485754 0.174442
C 4.187147 1.843825 -0.461289
C 5.014855 0.745256 -0.130824
C -5.383516 -1.406394 -0.377045
C -5.534060 0.669462 0.824648
C -6.195978 -0.466466 0.301115
C 6.532596 -1.593418 0.589480
H 0.028383 -1.344605 0.885027
H 0.722987 -1.688218 -0.725716
H -0.324412 1.835854 -1.343035
H 0.347542 2.395285 0.214164
H -1.191109 -0.681699 -1.882055
H -1.781748 -1.900981 -0.728040
H -1.301602 1.150780 1.514980
H -2.143499 2.148676 0.310001
H 2.559547 -1.584071 0.444356
H 2.194131 2.607324 -0.798308
H 4.652703 2.804088 -0.712751
H 6.101872 0.857424 -0.119345
H -5.810410 -2.317819 -0.812051
H -6.084168 1.448425 1.365749
H -7.272405 -0.610302 0.414888
H 6.870759 -0.856151 1.343930
H 6.967760 -1.337095 -0.396441
H 6.856748 -2.602205 0.885923


