%chk=000208255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208255

0 1
S 0.432646 1.967841 0.384113
O -0.726739 2.735628 -0.002989
O 1.356923 2.531420 1.327133
O 0.211850 -1.770108 1.428434
N -0.129970 0.450096 0.993309
C 1.287915 1.428264 -1.057489
C 2.259449 0.343428 -0.729199
C 1.934884 -0.655912 0.208664
C -1.498488 0.374546 1.587685
C 0.625125 -0.743747 0.922880
C -2.508176 -0.041596 0.543518
C 3.505260 0.311338 -1.372732
C 2.865538 -1.670449 0.491424
C 4.423784 -0.700103 -1.079090
C 4.106536 -1.692025 -0.145929
C -3.177867 0.925942 -0.218104
C -2.773880 -1.403179 0.337796
C -4.128582 0.531504 -1.163327
C -3.724438 -1.792061 -0.609337
C -4.406336 -0.825719 -1.356668
H 0.579241 1.067379 -1.842940
H 1.793123 2.283843 -1.561087
H -1.485295 -0.359419 2.432841
H -1.761893 1.362329 2.030890
H 3.764029 1.078754 -2.100828
H 2.598946 -2.447864 1.216759
H 5.392865 -0.713303 -1.580542
H 4.823946 -2.479216 0.083408
H -2.941595 1.986474 -0.083743
H -2.226037 -2.154501 0.911947
H -4.652473 1.284136 -1.749812
H -3.933453 -2.848834 -0.764968
H -5.150738 -1.130085 -2.089616


%chk=000208255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208255

0 1
S 0.582658 2.122254 0.503340
O -0.689785 3.084515 0.195738
O 1.653588 2.559252 1.635758
O 0.170475 -1.875322 1.155311
N -0.158471 0.384277 0.823408
C 1.470430 1.525059 -1.126198
C 2.400842 0.410271 -0.756204
C 1.982865 -0.671575 0.077673
C -1.505020 0.362695 1.463657
C 0.623440 -0.771029 0.718852
C -2.596647 -0.098917 0.503890
C 3.719666 0.423433 -1.270546
C 2.883404 -1.731966 0.340187
C 4.608976 -0.639228 -1.000729
C 4.186865 -1.722618 -0.196648
C -3.197254 0.824084 -0.390696
C -3.028565 -1.448505 0.506408
C -4.220396 0.401087 -1.267954
C -4.054100 -1.870009 -0.370270
C -4.652529 -0.946522 -1.258551
H 0.590952 1.230985 -1.721688
H 1.965231 2.416119 -1.540880
H -1.445116 -0.302888 2.342286
H -1.711913 1.392599 1.805489
H 4.046479 1.263280 -1.893977
H 2.534522 -2.556096 0.970154
H 5.623841 -0.617940 -1.411251
H 4.872776 -2.548388 0.018202
H -2.858148 1.867141 -0.392819
H -2.545559 -2.163677 1.181187
H -4.684815 1.120442 -1.952119
H -4.383483 -2.915081 -0.361671
H -5.449112 -1.272931 -1.936942


