%chk=000081089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000081089

0 1
S -1.840542 -0.641915 0.679891
O -2.656590 -0.423142 1.841770
O -1.741734 -1.950897 0.075469
O -0.306526 -0.192522 1.159960
N 1.100609 0.191153 -0.708209
C -1.148389 1.132395 -1.314328
C -0.019092 0.148236 -1.681803
C -2.318203 0.498801 -0.576171
C 0.954116 -0.596917 0.541145
C 1.966894 1.294631 -0.760310
C 1.950068 -0.226318 1.605414
C 2.856011 1.559489 0.234337
C 2.831775 0.780191 1.449982
C 0.967972 -2.085981 0.260836
C 1.828427 -2.659698 -0.574974
H -0.734657 1.968451 -0.706706
H -1.527390 1.610800 -2.242012
H 0.378324 0.387169 -2.694106
H -0.391834 -0.904244 -1.756530
H -2.985488 -0.014581 -1.304653
H -2.961511 1.299867 -0.147285
H 1.930355 1.891261 -1.677392
H 1.861887 -0.805120 2.521545
H 3.585330 2.356597 0.141223
H 3.546455 1.038523 2.232262
H 0.233309 -2.668748 0.827902
H 1.854809 -3.728628 -0.743174
H 2.565314 -2.113456 -1.150181


%chk=000081089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081089

0 1
S -1.977407 -0.429479 1.062519
O -2.841800 0.665522 1.887677
O -2.264179 -2.019964 1.273208
O -0.149441 0.012171 1.378389
N 1.203609 0.402044 -0.639583
C -1.197320 0.951956 -1.382694
C 0.203828 0.372787 -1.735973
C -2.209546 -0.056904 -0.842241
C 1.034207 -0.505151 0.498116
C 2.067154 1.491535 -0.577851
C 2.127720 -0.361172 1.514407
C 2.977299 1.670367 0.445476
C 3.014618 0.694220 1.502861
C 0.781527 -1.963508 0.122750
C 1.405073 -2.606318 -0.893916
H -1.103724 1.817830 -0.701306
H -1.630957 1.341916 -2.326674
H 0.627925 0.959037 -2.569181
H 0.089847 -0.665031 -2.091494
H -2.136425 -1.053728 -1.305138
H -3.244815 0.320063 -0.858938
H 1.998339 2.191401 -1.416213
H 2.136047 -1.117673 2.302185
H 3.657293 2.524222 0.427203
H 3.763829 0.778195 2.297447
H 0.101663 -2.501302 0.796210
H 1.232582 -3.672599 -1.074122
H 2.112751 -2.095040 -1.559223


