%chk=000080214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080214

0 1
 S   -4.523600      0.1571000     -6.1999999E-02
 P    2.373100     -5.5399999E-02  0.7764000    
 O    1.244400      -1.045200      0.1796000    
 O    2.396900       1.189300     -0.2617000    
 O    3.759700     -0.8423000      0.4787000    
 O   -5.244500      -1.107500     -8.8799998E-02
 O   -4.841600       1.149000      0.9561000    
 O    2.192200      0.3172000       2.220900    
 C   -2.815600     -0.1990000      9.2000002E-03
 C  -9.4200000E-02 -0.7660000      0.1229000    
 C   -1.930500      0.7352000      0.5472000    
 C   -2.336400      -1.417400     -0.4716000    
 C  -0.5660000      0.4510000      0.6041000    
 C  -0.9721000      -1.701800     -0.4146000    
 C   -4.744600      0.9459000      -1.640700    
 C    3.398500       2.179200     -0.1050000    
 C    4.070300      -1.258800     -0.8401000    
 C    3.223300       3.232200      -1.178500    
 C    5.410600      -1.962600     -0.8321000    
 H   -2.281800       1.693100      0.9205000    
 H   -3.006400      -2.156800     -0.9011000    
 H   8.3400004E-02   1.209400       1.025400    
 H  -0.6027000      -2.651300     -0.7916000    
 H   -4.439800      0.2547000      -2.428700    
 H   -5.802700       1.192700      -1.751000    
 H   -4.144700       1.857500      -1.669700    
 H    3.301600       2.632600      0.8865000    
 H    4.388400       1.720400     -0.1852000    
 H    3.293900      -1.941700      -1.197900    
 H    4.108000     -0.3912000      -1.505000    
 H    3.979000       4.016800      -1.083400    
 H    3.302500       2.783600      -2.174300    
 H    2.229800       3.688000      -1.112900    
 H    5.680100      -2.301500      -1.836300    
 H    6.194700      -1.293400     -0.4626000    
 H    5.388000      -2.827700     -0.1612000    


%chk=000080214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080214

0 1
S -4.614563 -0.091208 -0.184736
P 2.593973 0.139448 0.660145
O 1.384153 -0.960961 0.042141
O 2.752668 1.157800 -0.727837
O 3.930250 -0.916334 0.684202
O -5.197859 -1.280704 -1.147357
O -5.139577 0.143871 1.347693
O 2.322002 0.877002 2.034393
C -2.733718 -0.294948 -0.118903
C -0.001134 -0.672215 0.017017
C -2.044208 0.227123 0.987276
C -2.113504 -1.027223 -1.145303
C -0.647355 0.035221 1.060820
C -0.717080 -1.209881 -1.077321
C -4.892396 1.558171 -1.120739
C 3.240993 2.565152 -0.526225
C 4.282787 -1.737236 -0.526646
C 2.908168 3.313718 -1.811929
C 5.594446 -2.432079 -0.181818
H -2.589458 0.734287 1.790386
H -2.710603 -1.461520 -1.954117
H -0.073520 0.412853 1.913002
H -0.176099 -1.765640 -1.847876
H -4.443167 1.442955 -2.116565
H -5.984488 1.671333 -1.168386
H -4.418635 2.350014 -0.524777
H 2.733671 2.996251 0.356072
H 4.330280 2.532923 -0.337699
H 3.461104 -2.452611 -0.704962
H 4.379833 -1.060810 -1.396324
H 3.260997 4.358888 -1.734807
H 3.400490 2.843170 -2.679674
H 1.819502 3.323220 -1.988128
H 5.908463 -3.071973 -1.027323
H 6.390772 -1.695365 0.016432
H 5.474013 -3.067393 0.711374


