%chk=000017428.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017428

0 1
 S   -2.424900     -0.4316000      3.9999999E-04
 S   0.2411000      -1.713300      2.0000001E-03
 O   -2.812000      -1.047700      -1.268700    
 O   -2.838000      -1.043700       1.264000    
 N  -2.8200001E-02  0.8517000      1.9999999E-04
 C   -3.028700       1.249500     -1.1000000E-03
 C  -0.6926000     -0.2803000      7.9999998E-04
 C    1.680400     -0.7638000      1.3000000E-03
 C    1.334300      0.5908000      3.9999999E-04
 C   -4.540300       1.295900     -1.6000000E-03
 C    3.019100      -1.187200      1.5000000E-03
 C    2.366700       1.553900     -1.9999999E-04
 C    4.021400     -0.2138000      7.9999998E-04
 C    3.701700       1.139500       0.000000    
 H   -2.634000       1.744200      0.8915000    
 H   -2.632800       1.743100     -0.8936000    
 H   -4.889300       2.333000     -4.4000000E-03
 H   -4.951100      0.7959000     -0.8845000    
 H   -4.951900      0.8005000      0.8836000    
 H    3.276300      -2.241900      2.2000000E-03
 H    2.128100       2.613700     -8.9999998E-04
 H    5.064300     -0.5201000      1.0000000E-03
 H    4.494700       1.882300     -5.0000002E-04


%chk=000017428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017428

0 1
S -2.571747 -0.526071 -0.000735
S 0.352161 -1.958870 -0.002804
O -3.041583 -1.202031 -1.410085
O -3.041238 -1.193889 1.412648
N -0.024390 0.715256 -0.000482
C -3.064719 1.362621 -0.005994
C -0.653160 -0.428007 -0.001335
C 1.794269 -0.846387 -0.000112
C 1.376596 0.526131 0.000657
C -4.587449 1.431911 -0.000652
C 3.157523 -1.199424 0.000881
C 2.342442 1.559872 0.002378
C 4.108216 -0.154732 0.002544
C 3.705426 1.209175 0.003232
H -2.578094 1.758667 0.897719
H -2.584736 1.751460 -0.916388
H -4.895956 2.493529 -0.003331
H -5.015769 0.947196 -0.894620
H -5.008998 0.953644 0.899973
H 3.479666 -2.244639 0.000190
H 2.014330 2.603221 0.002881
H 5.174545 -0.403494 0.003189
H 4.466966 1.995461 0.004448