%chk=000031153.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031153

0 1
 S   -3.495400     -0.7987000      8.1400000E-02
 O  -0.3451000       3.191700     -2.0900000E-02
 O   -3.909800     -0.9936000      -1.488000    
 O   -3.398900      -2.129400      0.6634000    
 O   -4.377600      0.2022000      0.6607000    
 N    4.072900      -1.508200     -1.6000000E-03
 C   0.5227000     -0.3983000      2.4599999E-02
 C   0.6857000       1.007200      1.6000000E-03
 C   -1.892400     -0.1066000      4.9600001E-02
 C  -0.7730000     -0.9394000      4.8200000E-02
 C  -0.4522000       1.830400      3.1999999E-03
 C    1.660500      -1.221700      2.2600001E-02
 C    2.940500     -0.6671000     -8.9999998E-04
 C   -1.732200       1.275600      2.7200000E-02
 C    1.981500       1.548200     -2.2100000E-02
 C    3.100600      0.7151000     -2.3100000E-02
 C    5.412100      -1.007500     -2.6000001E-02
 H  -0.8977000      -2.020500      5.8200002E-02
 H    1.545400      -2.304400      4.0100001E-02
 H   -2.594000       1.937900      1.9700000E-02
 H    2.166400       2.618000     -5.6200001E-02
 H    4.078800       1.186300     -4.5100000E-02
 H    3.918200      -2.509900      1.4400000E-02
 H   0.4873000       3.472900      0.3892000    
 H    5.631400     -0.3975000      0.8566000    
 H    5.609400     -0.4258000     -0.9325000    
 H    6.115600      -1.846500     -2.1400001E-02
 H   -3.334300      -1.605700      -2.004400    


%chk=000031153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031153

0 1
S -3.512752 -0.920540 0.079957
O -0.422856 3.237690 0.002390
O -3.785252 -0.896814 -1.761824
O -3.416069 -2.460951 0.566347
O -4.593698 0.079301 0.751474
N 4.180327 -1.494393 0.039910
C 0.589616 -0.422603 0.037555
C 0.723613 1.023822 0.011900
C -1.809352 -0.147402 0.041898
C -0.722395 -1.006814 0.048207
C -0.467953 1.838675 0.014123
C 1.754849 -1.240028 0.046604
C 3.052402 -0.680902 0.030582
C -1.743322 1.265196 0.026058
C 2.046758 1.568228 -0.006017
C 3.177954 0.755129 0.002913
C 5.556205 -0.999505 0.024614
H -0.859352 -2.092072 0.074612
H 1.630117 -2.329918 0.065708
H -2.638782 1.890314 0.042783
H 2.209458 2.654616 -0.030571
H 4.170966 1.213251 -0.012510
H 4.033589 -2.501929 0.061919
H 0.505260 3.577108 0.019225
H 5.783345 -0.374174 0.911391
H 5.772999 -0.402728 -0.884065
H 6.246601 -1.858416 0.034106
H -4.735876 -1.169441 -1.920789


