%chk=000214922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214922

0 1
O 0.315341 -1.818412 0.002227
N 0.429124 0.479109 -0.000342
N -1.576808 1.831053 0.000786
N -2.535498 -1.759857 0.000936
N -3.742694 0.823002 0.000876
C 1.941569 0.425007 -0.001734
C 2.455469 -0.276826 1.270400
C 2.453171 -0.280464 -1.272801
C 3.989782 -0.283411 1.267912
C 3.987491 -0.286880 -1.273048
C 4.541054 -0.947508 -0.002161
C -0.252560 1.717831 0.000249
C -0.302883 -0.781921 0.000899
C -1.774151 -0.621516 0.000878
C 0.518676 2.997845 0.000498
C -2.363357 0.678730 0.000829
C -3.862445 -1.602355 0.000956
C -4.467075 -0.300530 0.000955
H 2.330326 1.475972 -0.003752
H 2.077286 -1.322612 1.308199
H 2.068706 0.220355 2.176781
H 2.064698 0.214085 -2.179885
H 2.075104 -1.326422 -1.306972
H 4.357660 -0.822303 2.162153
H 4.377710 0.749203 1.354140
H 4.375170 0.745531 -1.362757
H 4.353821 -0.828142 -2.166487
H 5.645747 -0.901925 -0.003216
H 4.277656 -2.024251 -0.000454
H -0.168633 3.868709 0.002714
H 1.149949 3.102043 -0.895108
H 1.153212 3.099914 0.894021
H -4.478522 -2.508751 0.000976
H -5.560297 -0.188701 0.001033


%chk=000214922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214922

0 1
O 0.261757 -1.916271 0.001951
N 0.403671 0.441392 0.000015
N -1.582466 1.828791 -0.000076
N -2.583137 -1.765757 0.002340
N -3.743217 0.866800 0.000709
C 1.912259 0.358505 -0.000986
C 2.464928 -0.307808 1.285606
C 2.463251 -0.308680 -1.287853
C 4.013030 -0.253841 1.275165
C 4.011367 -0.254631 -1.279435
C 4.591859 -0.908872 -0.002309
C -0.257343 1.684831 -0.000490
C -0.330287 -0.804845 0.001889
C -1.806098 -0.634293 0.001629
C 0.549639 2.966087 -0.001661
C -2.373027 0.683565 0.000799
C -3.923431 -1.568941 0.002273
C -4.494190 -0.259702 0.001456
H 2.269971 1.402170 -0.001642
H 2.125377 -1.356076 1.331860
H 2.067069 0.215639 2.176780
H 2.064207 0.214144 -2.178858
H 2.123804 -1.357021 -1.332970
H 4.403391 -0.761433 2.177465
H 4.352370 0.802198 1.330627
H 4.350605 0.801377 -1.336024
H 4.400580 -0.762783 -2.181918
H 5.695928 -0.830294 -0.003050
H 4.343765 -1.989288 -0.001827
H -0.170508 3.795961 -0.001393
H 1.192800 3.054707 -0.896166
H 1.194404 3.055413 0.891604
H -4.557019 -2.461767 0.002835
H -5.581509 -0.123676 0.001358


