%chk=000031709.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031709

0 1
 S   -2.558200     -7.7999998E-03   1.510500    
 S   -2.570600     -5.2499998E-02  -1.480300    
 O    3.799400       1.182800     -3.5999998E-02
 O    1.976700       2.406300     -4.8700001E-02
 N    2.549200       1.289600     -3.2900002E-02
 C   -1.919400     -0.8529000      2.3900000E-02
 C  -0.4107000     -0.9538000      1.6500000E-02
 C   -3.298500       1.407800      0.6555000    
 C   -3.864500      0.9112000     -0.6591000    
 C   0.3661000      0.2045000     -6.2000002E-03
 C   0.2041000      -2.205700      3.4000002E-02
 C    1.757800      0.1109000     -1.1500000E-02
 C    1.595800      -2.299300      2.8600000E-02
 C    2.372700      -1.141000      5.7999999E-03
 H   -2.350300      -1.859700      4.3499999E-02
 H   -2.532500       2.175200      0.4987000    
 H   -4.084100       1.845200       1.278800    
 H   -4.743800      0.2764000     -0.5041000    
 H   -4.164700       1.747800      -1.296900    
 H  -0.1231000       1.175400     -2.0000000E-02
 H  -0.3871000      -3.117200      5.2099999E-02
 H    2.074200      -3.274300      4.2300001E-02
 H    3.453900      -1.252600      2.4999999E-03


%chk=000031709-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031709

0 1
S -2.615950 0.002890 1.582100
S -2.563700 -0.021425 -1.528347
O 3.877417 1.187797 -0.045316
O 1.978337 2.447646 -0.045032
N 2.592288 1.311998 -0.034475
C -1.925535 -0.906203 0.038798
C -0.414424 -0.984143 0.019890
C -3.366047 1.472305 0.657657
C -3.930907 0.953867 -0.665277
C 0.372783 0.190596 -0.004522
C 0.229722 -2.246200 0.032023
C 1.773655 0.072849 -0.012138
C 1.641919 -2.341600 0.021825
C 2.433013 -1.178312 0.000048
H -2.369535 -1.912565 0.071466
H -2.594554 2.241434 0.498096
H -4.161141 1.866533 1.313895
H -4.802526 0.300117 -0.506147
H -4.194755 1.777435 -1.351463
H -0.088524 1.180945 -0.018850
H -0.375696 -3.159848 0.049272
H 2.121512 -3.325307 0.030778
H 3.525048 -1.214508 -0.007279


