%chk=000053119.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053119

0 1
 S    1.429800      -1.963600     -0.8220000    
 S   -1.525800      -2.352600     -0.9869000    
 P    2.856100      -1.071200      0.4310000    
 O    2.694600      0.5427000      0.4612000    
 O    2.788500      -1.662100       1.814500    
 O   -4.311200     -0.1200000      0.7146000    
 O   -2.743500      0.3595000     -0.9045000    
 C    2.086700       2.653500     -0.4820000    
 C    2.742700       1.303000     -0.7325000    
 C   0.6334000       2.501300     -4.2100001E-02
 C  -4.9999999E-03   3.850000      0.2484000    
 C    4.478500      -1.322700     -0.2895000    
 C  -0.1618000      -1.658500     -1.6300000E-02
 C   -2.896200      -1.864900      8.7099999E-02
 C   -3.270900     -0.4193000     -0.1226000    
 C   -4.795900       1.224900      0.6416000    
 H    2.640800       3.180000      0.3049000    
 H    2.144700       3.262300      -1.391400    
 H    2.231600      0.7794000      -1.545200    
 H    3.789700       1.446100      -1.017000    
 H   0.5664000       1.883900      0.8609000    
 H   5.9900001E-02   1.991700     -0.8252000    
 H   8.2000000E-03   4.489700     -0.6398000    
 H   -1.047200       3.717100      0.5554000    
 H   0.5231000       4.369200       1.054500    
 H    4.718100      -2.389600     -0.3169000    
 H    5.240600     -0.8140000      0.3074000    
 H    4.522800     -0.9370000      -1.311500    
 H  -0.1440000      -2.120200      0.9746000    
 H  -0.2918000     -0.5795000      9.5500000E-02
 H   -3.760600      -2.483000     -0.1743000    
 H   -2.634600      -2.037600       1.134900    
 H   -5.614000       1.331000       1.359000    
 H   -5.178600       1.434900     -0.3617000    
 H   -4.001500       1.928700      0.9080000    


%chk=000053119-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053119

0 1
S 1.835671 -2.410943 -0.579161
S -0.935619 -1.944037 -1.865205
P 1.622016 -0.561677 0.835263
O 1.939181 0.851415 -0.110822
O 0.228304 -0.592876 1.624842
O -2.948624 -0.259110 0.333157
O -2.747299 -2.400624 1.239141
C 1.274818 2.747320 -1.476097
C 0.937677 1.296663 -1.129849
C 1.070182 3.732642 -0.303651
C 1.401234 5.188830 -0.693572
C 3.173717 -0.578354 1.850591
C 0.028319 -2.915123 -0.550445
C -2.716816 -2.096599 -1.194666
C -2.811611 -1.636286 0.245603
C -2.853382 0.303236 1.709666
H 2.321932 2.798034 -1.833754
H 0.631312 3.042942 -2.330770
H -0.081226 1.197676 -0.708201
H 1.027837 0.626848 -2.004764
H 1.704634 3.414862 0.544961
H 0.019509 3.668550 0.046303
H 0.757753 5.536291 -1.524192
H 1.253597 5.877434 0.158412
H 2.453286 5.281450 -1.023585
H 3.166083 -1.473877 2.489189
H 3.196788 0.331886 2.470000
H 4.046493 -0.597703 1.181072
H 0.008958 -3.992157 -0.772803
H -0.397062 -2.704824 0.444610
H -3.306658 -1.455727 -1.867759
H -3.036184 -3.145850 -1.270197
H -3.079706 1.372054 1.588343
H -1.827054 0.139310 2.077860
H -3.584459 -0.188577 2.372580


