%chk=000154989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154989

0 1
 S    3.003600      5.3100001E-02  0.3218000    
 S   -3.004100     -3.1399999E-02  0.3227000    
 O    1.404600      0.3118000      0.1163000    
 O   -1.403100     -0.2985000      0.1463000    
 O    3.218700      -1.362000      0.5628000    
 O    3.687500      0.7150000     -0.7744000    
 O   -3.225700       1.396800      0.4560000    
 O   -3.679000     -0.7761000     -0.7248000    
 N    3.384500      0.9036000       1.761100    
 N   -3.390700     -0.7734000       1.819400    
 C   0.7367000     -0.2603000      -1.006500    
 C  -0.7305000      0.1908000      -1.012300    
 C   0.8778000      -1.776500     -0.9366000    
 C  -0.8803000       1.707100      -1.051900    
 H    1.215900      0.1050000      -1.923200    
 H   -1.214000     -0.2367000      -1.899800    
 H   0.7137000      -2.158000      7.6700002E-02
 H    1.865500      -2.103500      -1.274800    
 H   0.1575000      -2.261400      -1.605200    
 H   -1.867100       2.004400      -1.418700    
 H  -0.7229000       2.161200     -6.7900002E-02
 H  -0.1587000       2.146600      -1.749600    
 H    3.329300       1.929200       1.717800    
 H    2.995500      0.5267000       2.634900    
 H   -3.331600      -1.799300       1.853200    
 H   -3.008200     -0.3308000       2.664800    


%chk=000154989-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154989

0 1
S 3.299018 0.137040 0.132105
S -3.300548 -0.136066 0.131593
O 1.445328 0.128841 0.405506
O -1.448409 -0.102242 0.410447
O 3.948520 -1.259202 0.599648
O 3.550078 0.753692 -1.336844
O -3.953149 1.293822 0.477974
O -3.545327 -0.873726 -1.281560
N 3.728244 1.325787 1.338627
N -3.732129 -1.220414 1.431831
C 0.671976 -0.410049 -0.752184
C -0.672520 0.359872 -0.778485
C 0.534794 -1.932234 -0.645572
C -0.536624 1.885889 -0.770760
H 1.204974 -0.120723 -1.683574
H -1.203182 0.009828 -1.690063
H 0.075584 -2.205398 0.317513
H 1.525670 -2.413525 -0.713984
H -0.099592 -2.321248 -1.463324
H -1.528337 2.360470 -0.867404
H -0.075356 2.220645 0.171656
H 0.095237 2.222125 -1.613468
H 3.348783 2.263677 1.186059
H 3.797542 0.959589 2.291867
H -3.350922 -2.167197 1.359604
H -3.804753 -0.775852 2.350894


