%chk=000112882.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112882

0 1
 S   -4.673000      -3.364700     -0.5555000    
 S    5.636000      -2.150400     -0.4283000    
 O  -5.2200001E-02   1.701100       1.910800    
 O   -4.722500      -1.902400      0.1951000    
 O    4.492800      -2.269300      0.7477000    
 O   -2.637600       3.348700      0.8327000    
 O  -0.9040000       4.162600       2.057000    
 O   -6.232300      -3.847400     -0.5734000    
 O    6.662800      -3.376200     -9.9900000E-02
 O   -4.248700      -3.175500      -1.930500    
 O   -3.946700      -4.278300      0.3073000    
 O    5.019500      -2.417300      -1.714800    
 O    6.359700     -0.9104000     -0.2153000    
 C   8.9999996E-03   1.149600      0.5542000    
 C   0.1020000       2.267400     -0.4331000    
 C   -1.303900      0.3031000      0.4548000    
 C    1.252800      0.2016000      0.6075000    
 C  -0.5448000       3.482700     -0.2086000    
 C   0.8512000       2.080300      -1.594700    
 C   -2.089600      0.4979000     -0.6373000    
 C    1.153700     -0.9942000     -3.1700000E-02
 C   -1.563400     -0.5662000       1.467000    
 C    2.343300      0.6414000       1.290000    
 C  -0.4425000       4.510700      -1.145700    
 C   -3.259300     -0.2568000     -0.7265000    
 C    2.262300      -1.839500      1.6899999E-02
 C   -2.733000      -1.321000       1.377600    
 C    3.451800     -0.2039000       1.338300    
 C   0.9537000       3.108500      -2.531800    
 C   -3.580900      -1.166300      0.2809000    
 C    3.411400      -1.444300      0.7018000    
 C   0.3069000       4.323600      -2.307300    
 C   -1.334600       3.704700      0.9950000    
 H    1.356000       1.147200      -1.821900    
 H   -1.877300       1.177600      -1.451700    
 H   0.2974000      -1.321100     -0.6087000    
 H  -0.9142000     -0.7017000       2.325200    
 H    2.397000       1.609600       1.775200    
 H  -0.9469000       1.629000       2.281400    
 H  -0.9424000       5.462000     -0.9823000    
 H   -3.915000     -0.1325000      -1.584100    
 H    2.226800      -2.801500     -0.4874000    
 H   -2.978000      -2.026700       2.166700    
 H    4.344400      0.1113000       1.871900    
 H    1.533300       2.961700      -3.438500    
 H   0.3857000       5.123600      -3.037600    
 H   -3.161100       3.497700       1.648800    
 H   -6.713600      -3.748000      0.2814000    
 H    6.933700      -3.456900      0.8447000    


%chk=000112882-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112882

0 1
S -4.733661 -3.874737 -0.112110
S 6.105710 -2.109038 -0.600133
O 0.180317 1.709932 2.058745
O -4.822396 -1.792399 0.161287
O 4.205190 -2.698020 0.050906
O -2.040510 3.128974 1.633877
O -3.193383 3.968545 -0.184440
O -6.492939 -3.912467 0.386516
O 6.732173 -3.672830 0.108448
O -4.645719 -4.440936 -1.615978
O -3.799045 -4.519120 1.035801
O 6.404925 -2.136698 -2.181375
O 6.597230 -0.845341 0.275956
C 0.049720 1.226131 0.676019
C 0.195220 2.435610 -0.292261
C -1.283770 0.452072 0.506738
C 1.179702 0.186093 0.493987
C -0.821603 3.436127 -0.459252
C 1.391883 2.596388 -1.031891
C -1.994050 0.410069 -0.725321
C 1.232521 -0.631949 -0.671824
C -1.757518 -0.312361 1.611197
C 2.172050 0.037552 1.498753
C -0.635809 4.494605 -1.390213
C -3.155208 -0.368846 -0.854455
C 2.260460 -1.568797 -0.840923
C -2.919400 -1.087820 1.500566
C 3.205025 -0.902915 1.345941
C 1.585897 3.673059 -1.923438
C -3.643844 -1.107905 0.266058
C 3.249739 -1.726842 0.179641
C 0.560450 4.621508 -2.120264
C -2.121674 3.518557 0.271704
H 2.192709 1.861752 -0.917292
H -1.640536 0.992039 -1.582868
H 0.466669 -0.532577 -1.447612
H -1.193239 -0.282874 2.548133
H 2.111661 0.672059 2.385208
H -0.583478 2.342936 2.205505
H -1.446575 5.218879 -1.518128
H -3.714509 -0.411582 -1.794502
H 2.318179 -2.202384 -1.731583
H -3.288121 -1.688244 2.338406
H 3.984299 -1.017974 2.106024
H 2.531900 3.759545 -2.467997
H 0.690942 5.449684 -2.823657
H -2.937357 3.209092 2.056136
H -6.668681 -2.989400 0.740135
H 5.954153 -4.036052 0.629130


