%chk=000039679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039679

0 1
 S   -3.411000       2.847400      0.7313000    
 O    1.382100     -0.8032000      0.7809000    
 O    1.327100       2.058700      0.7536000    
 O   -2.802400      -1.461800      -2.112800    
 O   -2.572700      -2.906600     -0.1980000    
 O   0.2363000       1.985000      -1.297500    
 N  -0.7262000       3.063000      0.5179000    
 C    1.906400      -2.162300      0.7471000    
 C    3.121200      -2.203900     -0.2092000    
 C    3.400000     -0.7557000     -0.3358000    
 C    2.365100     -2.7300000E-02  0.2256000    
 C    2.301700      -2.544200       2.179200    
 C   0.7840000      -3.077400      0.2552000    
 C    4.466500     -0.1191000     -0.9447000    
 C    2.347900       1.354100      0.2044000    
 C    4.475300       1.277800     -0.9706000    
 C    3.421600       2.010100     -0.4001000    
 C   0.2628000       2.346300     -0.1246000    
 C   -2.891400     -0.7808000     -0.9379000    
 C   -2.760300      -1.605900      0.1555000    
 C   -3.154900       1.094900      0.4920000    
 C   -3.090000      0.5778000     -0.8026000    
 C   -1.946500       3.504200     -0.1269000    
 C   -2.820900      -1.117900       1.444700    
 C   -3.021600      0.2546000       1.609600    
 C   -2.600100      -2.807900      -1.636400    
 H    2.860800      -2.616300      -1.190200    
 H    3.966300      -2.761900      0.2051000    
 H    2.673000      -3.572800       2.231800    
 H    3.079000      -1.875300       2.565800    
 H    1.446100      -2.447200       2.857200    
 H    1.118600      -4.116800      0.1760000    
 H  -7.0799999E-02  -3.040900      0.9382000    
 H   0.4214000      -2.750800     -0.7251000    
 H    5.274800     -0.6840000      -1.396200    
 H    5.301700       1.803600      -1.441000    
 H    3.448900       3.096300     -0.4353000    
 H  -0.5898000       3.300600       1.495400    
 H   -3.198600       1.203900      -1.682000    
 H   -1.968900       4.595500     -5.4800000E-02
 H   -1.953700       3.232600      -1.186000    
 H   -2.715800      -1.771400       2.303200    
 H   -3.071000      0.6592000       2.618100    
 H   -1.651300      -3.183700      -2.035600    
 H   -3.412900      -3.438500      -2.014600    


%chk=000039679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039679

0 1
S -3.415455 2.864192 0.501716
O 1.396154 -0.659258 0.315745
O 1.420792 2.308043 0.614252
O -3.810828 -2.050513 -1.563697
O -2.664795 -3.109188 0.263029
O 0.328962 1.774654 -1.433099
N -0.611844 3.203476 0.193041
C 1.854993 -2.128676 0.266974
C 3.343565 -2.069540 -0.224369
C 3.714111 -0.600171 -0.098200
C 2.533606 0.131902 0.174621
C 1.736057 -2.652105 1.707807
C 0.912266 -2.839969 -0.708769
C 4.948369 0.056480 -0.232564
C 2.571282 1.536007 0.286405
C 4.993663 1.468432 -0.097301
C 3.809860 2.199407 0.153542
C 0.349436 2.356188 -0.330169
C -3.441118 -1.090502 -0.587766
C -2.776121 -1.713775 0.490497
C -3.155219 1.041012 0.472230
C -3.650508 0.287766 -0.631254
C -1.864654 3.453700 -0.476220
C -2.292811 -0.990009 1.580931
C -2.494292 0.417685 1.555818
C -3.430256 -3.366838 -0.988875
H 3.422275 -2.406731 -1.275757
H 3.988001 -2.726768 0.386821
H 1.995098 -3.726376 1.750769
H 2.415258 -2.100296 2.381682
H 0.702346 -2.527524 2.072877
H 1.220648 -3.895492 -0.828903
H -0.125715 -2.821123 -0.335958
H 0.941611 -2.347912 -1.696194
H 5.862989 -0.509398 -0.440997
H 5.945854 1.999744 -0.193051
H 3.828422 3.289480 0.252740
H -0.431967 3.605980 1.114155
H -4.165341 0.769045 -1.465599
H -2.060209 4.532077 -0.603564
H -1.849208 2.945418 -1.451096
H -1.777199 -1.477706 2.411740
H -2.134749 1.028906 2.387706
H -2.778706 -3.896141 -1.702909
H -4.346819 -3.931585 -0.738886


