%chk=000043542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043542

0 1
 S   -1.336600     -0.6948000      0.4033000    
 O    3.232200     -0.5040000     -0.1260000    
 O    1.441600      -1.897500      0.1607000    
 N    1.133400      0.4219000      4.7600001E-02
 N  -0.6619000       1.857700      0.1436000    
 C    1.727000       1.729300     -7.3700003E-02
 C   0.5457000       2.681000     -7.1800001E-02
 C  -0.2432000      0.6324000      0.1838000    
 C    1.895400     -0.7629000      3.9799999E-02
 C   -2.810400      9.9999997E-05 -0.3777000    
 C   -3.915600      -1.006400     -0.3803000    
 C    4.096100      -1.645900     -0.1522000    
 C   -5.103600     -0.8110000      0.2029000    
 H    2.312500       1.794700     -0.9967000    
 H    2.397500       1.903000      0.7750000    
 H   0.6393000       3.427600      0.7236000    
 H   0.4638000       3.210200      -1.027200    
 H   -3.115700      0.9076000      0.1543000    
 H   -2.578300      0.2748000      -1.412200    
 H   -3.750800      -1.940300     -0.9130000    
 H    5.121500      -1.292500     -0.2889000    
 H    3.834800      -2.298700     -0.9904000    
 H    4.035000      -2.188400      0.7959000    
 H   -5.871500      -1.575300      0.1542000    
 H   -5.331100      0.1056000      0.7359000    


%chk=000043542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043542

0 1
S -1.228646 -0.910442 0.938672
O 3.232146 -0.495564 -0.153264
O 1.541922 -1.844918 0.775360
N 1.103155 0.314389 -0.067823
N -0.824887 1.578677 -0.218020
C 1.591003 1.572871 -0.709275
C 0.275672 2.420107 -0.790299
C -0.303410 0.439068 0.165858
C 1.909297 -0.771675 0.236618
C -2.947942 -0.039217 0.978591
C -3.658136 -0.108267 -0.341222
C 4.188387 -1.591493 0.125897
C -4.793261 -0.819833 -0.561992
H 2.026953 1.348614 -1.696966
H 2.371471 2.036919 -0.084099
H 0.351148 3.357277 -0.210609
H 0.020188 2.689357 -1.830424
H -3.485144 -0.567575 1.783609
H -2.729223 1.000373 1.270407
H -3.205087 0.484028 -1.146580
H 5.154718 -1.215364 -0.238300
H 3.890059 -2.507438 -0.410944
H 4.225760 -1.801878 1.207828
H -5.283818 -0.823506 -1.541661
H -5.265223 -1.416312 0.229138


