%chk=000216316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216316

0 1
O 1.522691 1.315201 -0.359652
N 0.228287 0.286232 1.242887
N 3.910690 0.937856 1.117032
C -0.987939 0.159218 0.468361
C -1.633001 1.309001 -0.033552
C -1.518390 -1.140079 0.281043
C -2.834522 1.140783 -0.756288
C -2.736780 -1.276166 -0.408352
C 4.477750 -0.362178 0.631241
C -3.373548 -0.138564 -0.923519
C 2.581775 0.824067 1.759156
C 1.420485 0.834482 0.754086
C -1.044694 2.663631 0.186263
C -0.793525 -2.337462 0.811409
C -3.550819 2.311991 -1.351614
C -3.371935 -2.616120 -0.612206
C 5.875431 -0.062390 0.071348
C 3.609418 -1.066545 -0.421305
H 4.580923 -1.030799 1.526170
H -4.307980 -0.255501 -1.470608
H 0.207781 -0.178823 2.148256
H 2.554903 -0.064732 2.423426
H 2.467926 1.713945 2.427582
H 3.855754 1.617097 0.342650
H -0.693788 2.795302 1.218192
H -0.165899 2.801428 -0.473834
H -1.742115 3.481976 -0.020269
H -1.069360 -3.260025 0.282149
H 0.295321 -2.243744 0.697780
H -1.017161 -2.497047 1.874514
H -3.844211 3.037577 -0.579879
H -2.910021 2.837741 -2.075361
H -4.464833 2.021601 -1.884898
H -2.736533 -3.266842 -1.230157
H -3.543486 -3.127289 0.345207
H -4.344284 -2.547512 -1.117232
H 6.421521 -0.987563 -0.137360
H 5.830911 0.512047 -0.860705
H 6.469347 0.521759 0.786766
H 2.706487 -1.501790 0.015767
H 4.155344 -1.874780 -0.917389
H 3.277181 -0.370886 -1.205904


%chk=000216316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216316

0 1
O 1.524030 1.403446 -0.494519
N 0.246183 0.288698 1.130107
N 3.922981 0.937132 1.052640
C -1.006746 0.171274 0.423270
C -1.677374 1.339907 -0.035756
C -1.537827 -1.140961 0.245636
C -2.907627 1.173349 -0.735945
C -2.785152 -1.286826 -0.420820
C 4.536551 -0.367051 0.677590
C -3.434779 -0.127212 -0.907527
C 2.591976 0.902174 1.665550
C 1.415006 0.875308 0.650504
C -1.106904 2.719560 0.223376
C -0.760902 -2.346034 0.752723
C -3.670204 2.367544 -1.286322
C -3.420466 -2.650459 -0.644946
C 5.965501 -0.092399 0.165006
C 3.731330 -1.207543 -0.353594
H 4.615241 -0.956438 1.615687
H -4.388147 -0.242305 -1.438578
H 0.324122 -0.223825 2.012645
H 2.536922 0.043289 2.363529
H 2.450751 1.817871 2.277946
H 3.934879 1.599741 0.262340
H -0.578850 2.754658 1.193083
H -0.363164 2.985976 -0.550698
H -1.894837 3.490390 0.232317
H -1.120778 -3.281284 0.296304
H 0.315905 -2.250893 0.520898
H -0.852252 -2.471401 1.851947
H -4.022608 3.039720 -0.479898
H -3.041690 2.977870 -1.961123
H -4.556347 2.038650 -1.855289
H -2.796689 -3.294453 -1.294799
H -3.573329 -3.198673 0.303768
H -4.404579 -2.546199 -1.132455
H 6.496818 -1.036904 -0.050078
H 5.936708 0.498239 -0.771523
H 6.538505 0.478388 0.915754
H 2.717227 -1.448287 0.017152
H 4.249342 -2.163206 -0.561044
H 3.616372 -0.654732 -1.303655


