%chk=000245808.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245808

0 1
O 5.951447 1.121581 0.700981
O -5.202525 1.388697 -0.832506
N -4.559805 -0.570830 0.203744
C -0.339865 -0.233318 0.126265
C 1.134184 -0.132746 0.110712
C -0.967473 -1.356320 0.688929
C -1.126716 0.793908 -0.420048
C 1.906215 -1.156988 -0.464002
C 1.772390 0.986278 0.670516
C -3.138752 -0.418215 0.156645
C 3.937941 0.054517 0.075745
C -2.356795 -1.455283 0.710755
C -2.517068 0.708045 -0.411613
C 3.298081 -1.061205 -0.482204
C 3.163767 1.074866 0.654788
C 5.424256 0.213681 0.090795
C 6.248624 -0.779351 -0.679458
C -5.515953 0.347366 -0.295321
C -6.937774 -0.097369 -0.092984
H -0.363001 -2.155079 1.120321
H -0.645765 1.667859 -0.863036
H 1.413820 -2.022399 -0.904841
H 1.179868 1.779731 1.124865
H -2.825077 -2.329560 1.155412
H -3.119610 1.514836 -0.845349
H 3.880364 -1.864259 -0.933925
H 3.670038 1.940007 1.096226
H -4.895542 -1.429214 0.644998
H 5.960032 -0.821226 -1.737152
H 6.161376 -1.791191 -0.264105
H 7.315545 -0.507783 -0.643151
H -7.163672 -1.040548 -0.607673
H -7.625777 0.661659 -0.505179
H -7.197179 -0.215247 0.967448


%chk=000245808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245808

0 1
O 6.037227 1.356121 0.318121
O -5.384620 1.596748 -0.394360
N -4.610695 -0.560239 0.123787
C -0.339694 -0.200362 0.047574
C 1.143807 -0.097263 0.028950
C -0.990340 -1.430595 0.344891
C -1.164653 0.924627 -0.229482
C 1.954414 -1.209655 -0.336506
C 1.802799 1.119212 0.375363
C -3.199236 -0.390884 0.084962
C 4.006907 0.102157 -0.009053
C -2.391350 -1.526854 0.365662
C -2.569671 0.847038 -0.216901
C 3.358158 -1.113788 -0.354875
C 3.202871 1.217121 0.356160
C 5.499690 0.256194 -0.011257
C 6.364635 -0.936007 -0.412330
C -5.616232 0.387842 -0.104400
C -7.031425 -0.175380 0.030374
H -0.394577 -2.314482 0.596889
H -0.700642 1.881089 -0.494075
H 1.477331 -2.147419 -0.641554
H 1.208450 1.983007 0.692017
H -2.864133 -2.486675 0.611823
H -3.186332 1.718512 -0.441959
H 3.947994 -1.988183 -0.649927
H 3.711204 2.147570 0.630532
H -4.930322 -1.505481 0.350539
H 6.109515 -1.295134 -1.426437
H 6.218628 -1.781901 0.285642
H 7.422301 -0.633297 -0.391195
H -7.211689 -0.990445 -0.694995
H -7.748825 0.634366 -0.163935
H -7.211896 -0.572660 1.046555


