%chk=000179686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179686

0 1
I 5.261430 -0.445941 -0.172238
O -1.793770 -1.501294 0.055725
N -3.317036 0.217365 0.308103
N -0.950441 0.661219 0.114907
C 0.441133 0.350253 0.067329
C -1.999556 -0.299943 0.116947
C 1.341887 1.434865 0.170926
C 0.928232 -0.959495 -0.099123
C -4.405030 -0.769984 0.070838
C -3.646007 1.589350 -0.151175
C 2.715375 1.200027 0.101608
C 2.303736 -1.180112 -0.166149
C 3.183609 -0.102157 -0.067002
H -1.180938 1.642834 0.284407
H 0.980416 2.451051 0.303819
H 0.233682 -1.805996 -0.171285
H -4.727845 -0.817837 -0.980278
H -5.266078 -0.507386 0.706807
H -4.064980 -1.783697 0.366435
H -4.709889 1.805924 0.052832
H -3.470298 1.745526 -1.228330
H -3.061649 2.329293 0.422320
H 3.410282 2.038779 0.180874
H 2.678235 -2.198642 -0.295297


%chk=000179686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179686

0 1
I 5.359845 -0.339404 -0.016294
O -1.839404 -1.642900 0.007994
N -3.314742 0.176847 0.006239
N -0.983844 0.555100 0.000143
C 0.411148 0.291652 -0.002929
C -2.032348 -0.386463 0.004995
C 1.285304 1.414001 -0.006990
C 0.966452 -1.016544 -0.002439
C -4.473819 -0.730853 0.012141
C -3.565838 1.625382 0.001677
C 2.684476 1.243926 -0.010689
C 2.367833 -1.185192 -0.006137
C 3.221219 -0.061816 -0.010279
H -1.232842 1.544742 -0.000946
H 0.875234 2.432381 -0.007339
H 0.298286 -1.879233 0.000949
H -5.100220 -0.578445 -0.887593
H -5.095990 -0.572147 0.913721
H -4.096804 -1.764598 0.014838
H -4.653509 1.797297 0.002561
H -3.159712 2.120767 -0.904463
H -3.157320 2.126959 0.903368
H 3.339115 2.120060 -0.013793
H 2.781979 -2.197516 -0.005735


