%chk=000083969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083969

0 1
 S   -3.994000     -0.3274000     -0.8861000    
 O   -4.129500      0.8094000      -1.875900    
 O    5.682300       1.108000      0.1042000    
 O    4.811300     -0.9294000      0.6703000    
 N    1.113100       1.012800     -0.5671000    
 N    1.816200     -0.9448000      0.2161000    
 N    3.439200      0.8015000     -0.1364000    
 C  -1.0500000E-02  0.2326000     -0.4698000    
 C   -2.248800     -0.5710000     -0.5348000    
 C   -4.555700      0.2919000      0.7245000    
 C   0.4547000     -0.9842000      2.1199999E-02
 C   -1.352800      0.4792000     -0.7602000    
 C   -6.042000      0.6173000      0.6861000    
 C   -1.812000      -1.803200     -4.3000001E-02
 C  -0.4594000      -2.028300      0.2415000    
 C    2.177800      0.2658000     -0.1462000    
 C   -6.532900       1.119100       2.034400    
 C    4.657200      0.2122000      0.2538000    
 C    6.985800      0.6385000      0.4674000    
 H   -4.351700     -0.4804000       1.473400    
 H   -3.972200       1.183900      0.9754000    
 H   -1.669700       1.445200      -1.137400    
 H   -6.245000       1.380600     -7.4699998E-02
 H   -6.617000     -0.2728000      0.4033000    
 H   -2.520500      -2.611100      0.1277000    
 H    1.147900       1.969900     -0.8919000    
 H  -0.1301000      -2.989300      0.6236000    
 H   -7.602200       1.347600       1.987600    
 H   -6.380700      0.3647000       2.813000    
 H   -6.003400       2.030400       2.330300    
 H    3.505900       1.764500     -0.4577000    
 H    7.008200      0.3663000       1.526900    
 H    7.698200       1.450300      0.2984000    
 H    7.269000     -0.2133000     -0.1581000    


%chk=000083969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083969

0 1
S -4.035457 -0.292308 -1.029408
O -3.996790 1.242330 -1.716361
O 5.719553 1.140037 0.031234
O 4.857660 -0.922827 0.786052
N 1.154764 1.016441 -0.657417
N 1.856585 -0.951705 0.291932
N 3.512262 0.798438 -0.179817
C -0.003972 0.232474 -0.513720
C -2.222231 -0.597328 -0.532461
C -4.700906 0.064470 0.775041
C 0.458946 -0.993485 0.080485
C -1.351623 0.460024 -0.837368
C -6.093348 0.691307 0.671994
C -1.816019 -1.827988 0.038078
C -0.455254 -2.034452 0.358176
C 2.227419 0.251695 -0.157707
C -6.610949 1.142328 2.058447
C 4.693566 0.197103 0.273186
C 7.068285 0.695242 0.440331
H -4.684365 -0.908596 1.296730
H -3.954626 0.750525 1.209193
H -1.765115 1.366081 -1.301615
H -6.035419 1.560454 -0.010621
H -6.804818 -0.029979 0.224411
H -2.546791 -2.622840 0.225941
H 1.193617 1.953623 -1.054631
H -0.106263 -2.971154 0.801495
H -7.614957 1.594600 1.967721
H -6.683956 0.292074 2.761818
H -5.939033 1.897635 2.506229
H 3.638373 1.736021 -0.565525
H 7.091418 0.485443 1.522923
H 7.729997 1.535549 0.187560
H 7.356147 -0.214732 -0.112525


