%chk=000189053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189053

0 1
O 1.446090 3.233621 0.679130
O -0.470212 2.541147 1.391728
O -4.410349 -1.119557 0.686019
O 4.170882 -1.778172 -1.635005
O 4.626291 0.321565 -1.367234
N -1.153556 0.045465 1.202873
N 0.627186 2.353354 0.862243
N 3.898114 -0.650030 -1.256384
N -3.733075 -0.824526 -2.034838
N -4.483353 -0.783633 -2.870943
C 0.057120 -0.111746 0.597982
C 0.953472 1.002472 0.429734
C 0.489063 -1.397669 0.117428
C 2.211566 0.808833 -0.175043
C -2.135557 -1.034229 1.375990
C 2.590711 -0.450979 -0.621888
C 1.716357 -1.564898 -0.467322
C -3.259262 -1.002187 0.324075
C -2.851919 -0.873487 -1.064398
H -1.461448 0.990005 1.521522
H -0.175097 -2.255523 0.239998
H 2.895259 1.671054 -0.293928
H -2.602749 -0.934536 2.391583
H -1.663289 -2.047124 1.365292
H 2.051073 -2.547881 -0.828175
H -1.786718 -0.810041 -1.306341


%chk=000189053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189053

0 1
O 1.643642 3.263728 0.691097
O -0.427916 2.635290 1.391896
O -3.487418 -2.566761 0.200057
O 4.149248 -1.992602 -1.632598
O 4.712730 0.204830 -1.351358
N -1.191891 0.145074 1.162512
N 0.739147 2.364087 0.850063
N 3.893765 -0.787429 -1.237946
N -3.782731 -0.800394 -2.010294
N -4.418591 -1.192694 -2.917683
C 0.033353 -0.071673 0.578076
C 1.005929 0.990958 0.412943
C 0.411832 -1.374056 0.102151
C 2.264506 0.753685 -0.178938
C -2.180075 -0.897895 1.414299
C 2.579011 -0.536995 -0.618197
C 1.654925 -1.608108 -0.481632
C -2.971174 -1.411300 0.175243
C -3.086460 -0.461036 -0.930089
H -1.344562 1.117890 1.480696
H -0.294967 -2.202460 0.193404
H 2.979358 1.573286 -0.288527
H -2.923189 -0.497706 2.127457
H -1.730038 -1.789130 1.889233
H 1.936727 -2.601150 -0.841698
H -2.618559 0.523857 -0.916069


