%chk=000074369.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074369

0 1
 S    1.672000     -7.4900001E-02  0.7834000    
 O    1.988800       1.141700       1.508600    
 O    1.948100      -1.362200       1.394200    
 N    2.394100     -1.4800000E-02 -0.7814000    
 N   -4.140200      7.6899998E-02 -0.4615000    
 C  -5.9099998E-02 -2.9899999E-02  0.4123000    
 C  -0.7361000      -1.219300      0.2160000    
 C  -0.6967000       1.193800      0.3270000    
 C    2.069900      -1.104400      -1.736900    
 C    2.480600       1.306400      -1.454100    
 C   -2.099600      -1.183700     -7.6099999E-02
 C   -2.060200       1.229500      3.5000000E-02
 C   -2.761600      4.0700000E-02 -0.1666000    
 H  -0.2379000      -2.181700      0.2774000    
 H  -0.1665000       2.129400      0.4738000    
 H    2.036700      -2.070300      -1.225600    
 H    2.855900      -1.168800      -2.496200    
 H    1.114000     -0.9179000      -2.234000    
 H    2.872600       2.062300     -0.7683000    
 H    1.500200       1.617900      -1.824300    
 H    3.174200       1.246800      -2.299000    
 H   -2.634900      -2.116700     -0.2323000    
 H   -2.564500       2.190000     -3.4499999E-02
 H   -4.649200     -0.7846000     -0.6083000    
 H   -4.620600      0.9644000     -0.5278000    


%chk=000074369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074369

0 1
S 1.691936 -0.105016 0.751118
O 2.081826 1.262002 1.544933
O 2.003146 -1.598235 1.320804
N 2.667827 -0.004876 -0.883772
N -4.267230 0.146260 -0.399482
C -0.143865 -0.025568 0.373880
C -0.844608 -1.227498 0.154166
C -0.779770 1.230911 0.357595
C 2.367071 -1.178938 -1.736150
C 2.462037 1.312686 -1.529842
C -2.224184 -1.167926 -0.107371
C -2.159511 1.287484 0.095748
C -2.902332 0.089998 -0.144926
H -0.321555 -2.187294 0.222191
H -0.207364 2.137479 0.580706
H 2.432504 -2.090773 -1.119583
H 3.154407 -1.232620 -2.510035
H 1.375393 -1.131634 -2.241810
H 2.586127 2.102822 -0.770767
H 1.475355 1.422223 -2.035626
H 3.259988 1.435406 -2.284749
H -2.787005 -2.094231 -0.271149
H -2.672574 2.256204 0.089128
H -4.806230 -0.702303 -0.547242
H -4.761389 1.034035 -0.406967


