%chk=000221286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221286

0 1
O 1.591238 0.266644 -1.545496
N 0.789324 -0.590871 0.417821
N -1.269509 1.199039 2.437197
C -0.642276 -0.161246 0.257177
C -1.541205 -1.424293 0.153783
C -0.880348 0.758469 -0.962373
C -3.020094 -1.052056 -0.004039
C -2.360380 1.130512 -1.099088
C -3.242714 -0.119901 -1.201601
C -0.993423 0.602594 1.488830
C 1.102566 -1.311103 1.679803
C 1.825719 -0.305640 -0.495741
C 3.221754 -0.760217 -0.099648
C 4.230133 -0.403888 -1.185514
H -1.410126 -2.076223 1.037012
H -1.205538 -2.020417 -0.718882
H -0.533237 0.246109 -1.888065
H -0.251163 1.668345 -0.895398
H -3.390673 -0.568461 0.921973
H -3.621581 -1.973284 -0.125387
H -2.494653 1.763138 -1.998140
H -2.683431 1.754821 -0.242864
H -3.022656 -0.657846 -2.144180
H -4.308029 0.172858 -1.258567
H 1.715239 -0.683912 2.351137
H 1.639865 -2.252355 1.474418
H 0.186341 -1.581105 2.233060
H 3.516847 -0.283548 0.858575
H 3.232890 -1.855299 0.079219
H 4.249459 0.679117 -1.373411
H 3.969942 -0.874458 -2.143988
H 5.241615 -0.720724 -0.912224


%chk=000221286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221286

0 1
O 1.209172 -0.662047 -1.643780
N 0.823402 -0.415604 0.647355
N -1.921840 0.160446 2.757023
C -0.661106 -0.200374 0.420025
C -1.321595 -1.454577 -0.254345
C -0.920916 1.086671 -0.439770
C -2.820527 -1.225317 -0.558890
C -2.424241 1.288362 -0.742221
C -3.035481 0.040480 -1.422108
C -1.322276 -0.003492 1.738387
C 1.319857 -0.367121 2.039939
C 1.656821 -0.643039 -0.451469
C 3.155299 -0.877225 -0.178991
C 3.931291 -1.163368 -1.478164
H -1.183813 -2.332544 0.404210
H -0.770116 -1.636352 -1.192009
H -0.361602 0.954019 -1.381144
H -0.504764 1.964250 0.089644
H -3.392202 -1.129908 0.386086
H -3.215922 -2.117062 -1.081585
H -2.538521 2.175101 -1.394462
H -2.976328 1.507971 0.193710
H -2.560056 -0.106389 -2.413054
H -4.116328 0.197798 -1.600158
H 1.072814 0.600644 2.512778
H 2.410250 -0.485864 2.061431
H 0.872448 -1.171400 2.652619
H 3.585263 0.012568 0.323874
H 3.278546 -1.724475 0.524961
H 3.838995 -0.323115 -2.185964
H 3.534295 -2.058622 -1.984827
H 5.001077 -1.325617 -1.253701


