%chk=000217034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217034

0 1
S 1.410434 -1.808258 0.838168
O 2.642515 -2.551307 1.037222
O 0.483392 -1.713691 1.950958
N -0.549595 0.322318 -0.248731
N -3.434833 0.483448 -0.075499
N 1.216022 1.883172 -0.789529
N 0.617013 -2.560675 -0.472390
C -1.353467 1.004032 -1.323200
C -1.237093 0.482789 1.082389
C -2.739028 0.334211 -1.396065
C -2.626378 -0.174789 1.003459
C 0.842496 0.681136 -0.231004
C -4.804235 -0.107431 -0.136488
C 1.800360 -0.233066 0.254083
C 3.156948 0.122057 0.193100
C 2.529725 2.197498 -0.844916
C 3.535849 1.347173 -0.348456
H -0.824930 0.892848 -2.293685
H -1.463669 2.096282 -1.133207
H -1.336950 1.555938 1.357700
H -0.638540 -0.022461 1.882259
H -3.348306 0.852648 -2.168365
H -2.633905 -0.724260 -1.717125
H -2.516539 -1.272341 0.865317
H -3.150083 -0.021291 1.972882
H -4.839813 -1.183323 -0.361245
H -5.391908 0.427593 -0.900063
H -5.308634 0.061269 0.829315
H 3.920312 -0.577446 0.565558
H 2.773666 3.168675 -1.297271
H 4.581345 1.640255 -0.396907
H 0.739162 -3.556518 -0.622683
H -0.328530 -2.272684 -0.713780


%chk=000217034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217034

0 1
S 1.422411 -1.879781 0.978981
O 2.829006 -2.687699 1.071487
O 0.476955 -1.866705 2.311739
N -0.557248 0.475694 -0.245040
N -3.441571 0.392540 -0.073272
N 1.262162 1.820842 -0.994904
N 0.545096 -2.508403 -0.492565
C -1.398212 1.178972 -1.254553
C -1.249106 0.431852 1.087313
C -2.746031 0.449181 -1.377538
C -2.601959 -0.277662 0.944219
C 0.827806 0.729105 -0.285493
C -4.792541 -0.190411 -0.172214
C 1.804592 -0.126118 0.306402
C 3.171858 0.168000 0.267126
C 2.591767 2.102895 -1.057574
C 3.586199 1.341630 -0.406527
H -0.868654 1.184047 -2.220474
H -1.564812 2.233116 -0.953789
H -1.418299 1.474279 1.431825
H -0.628164 -0.103968 1.822248
H -3.383649 0.994367 -2.098159
H -2.564455 -0.577972 -1.794931
H -2.421771 -1.356870 0.693028
H -3.125089 -0.248226 1.917407
H -4.791203 -1.257185 -0.512054
H -5.399358 0.395116 -0.885823
H -5.288942 -0.146883 0.813526
H 3.888471 -0.539665 0.699322
H 2.859090 2.979182 -1.658995
H 4.641064 1.621183 -0.465207
H 0.347283 -3.514617 -0.374231
H -0.289892 -1.916037 -0.659481


