%chk=000054162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054162

0 1
 S    5.127200      -1.018300      0.2201000    
 O  -0.1496000      -1.929100      0.4504000    
 O   -5.825000      0.3167000     -0.8934000    
 O   -5.193000      -1.417900      0.4370000    
 N   -1.234500      0.1335000      0.2352000    
 N   3.6800001E-02   2.132300     -2.8899999E-02
 C    1.190400     -2.2900000E-02  0.1955000    
 C    1.212300       1.367800      3.2499999E-02
 C  -0.1184000     -0.7099000      0.3071000    
 C    2.381600     -0.7551000      0.2531000    
 C    3.604500     -9.4099998E-02  0.1477000    
 C    2.448100       2.016300     -7.1800001E-02
 C    3.638300       1.289600     -1.4400000E-02
 C   -1.087200       1.501900      7.1500003E-02
 C   -2.498100     -0.4055000      0.3288000    
 C   -3.555800      0.1436000     -0.2785000    
 C    4.944800      -2.140500      -1.194800    
 C   -4.922300     -0.4084000     -0.1972000    
 H    2.353000      -1.833600      0.3874000    
 H    2.490600       3.095500     -0.1988000    
 H    4.582800       1.821500     -9.8499998E-02
 H   -2.007500       2.101100      6.4700000E-02
 H   -2.577300      -1.367800      0.8241000    
 H   -3.480700       1.045200     -0.8782000    
 H    5.869500      -2.709700      -1.321200    
 H    4.756600      -1.571800      -2.109500    
 H    4.125200      -2.844100      -1.028600    
 H   -6.728000     -6.1600000E-02 -0.8311000    


%chk=000054162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054162

0 1
S 5.314195 -0.749898 -0.361860
O -0.166871 -1.828754 -0.428954
O -6.057542 0.201834 -0.035860
O -4.968839 -1.837739 -0.333995
N -1.207883 0.270809 -0.107615
N 0.086046 2.302321 0.162711
C 1.248222 0.131250 -0.169960
C 1.269045 1.546441 0.034007
C -0.035301 -0.586747 -0.251589
C 2.455434 -0.600307 -0.295696
C 3.690951 0.069080 -0.219108
C 2.523635 2.209859 0.109192
C 3.715198 1.484383 -0.015038
C -1.059698 1.664717 0.090366
C -2.471144 -0.358333 -0.173903
C -3.693089 0.240488 -0.069824
C 4.839088 -2.546072 -0.625454
C -4.903742 -0.595161 -0.164433
H 2.376625 -1.680247 -0.450041
H 2.530058 3.292285 0.265405
H 4.677348 2.005073 0.044087
H -1.986552 2.234093 0.188125
H -2.401910 -1.441887 -0.326298
H -3.858647 1.310103 0.080110
H 5.792894 -3.086815 -0.721009
H 4.255354 -2.661184 -1.551602
H 4.281398 -2.932115 0.241475
H -6.859974 -0.382775 -0.103040


