%chk=000131369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131369

0 1
 S    4.318000      -2.050500     -0.3228000    
 O    4.012300      0.4904000     -0.1781000    
 O   -3.204600      0.5544000      -1.230900    
 N    1.229600      0.4702000      4.4000000E-03
 N   -2.249200     -0.7914000      0.4057000    
 C    1.949000       1.625800      0.5339000    
 C  -0.1367000      0.4283000      0.5248000    
 C    1.945200     -0.7586000      0.3540000    
 C    3.258800       1.714600     -0.2230000    
 C  -0.8995000     -0.7381000     -8.5800000E-02
 C    3.381800     -0.6906000     -7.8400001E-02
 C   -3.299500     -0.1314000     -0.2180000    
 C   -4.591600     -0.3419000      0.4879000    
 C   -5.713600      0.2187000      2.6500000E-02
 H    2.129400       1.520700       1.611400    
 H    1.387000       2.553200      0.3738000    
 H  -0.1469000      0.3545000       1.620700    
 H  -0.6565000       1.360400      0.2677000    
 H    1.511100      -1.618200     -0.1663000    
 H    1.921500     -0.9512000       1.434600    
 H    3.098000       1.967600      -1.277500    
 H    3.886300       2.499800      0.2112000    
 H  -0.9174000     -0.6640000      -1.179400    
 H  -0.4760000      -1.708100      0.1862000    
 H   -2.422100      -1.330300       1.249600    
 H   -4.613600     -0.9560000       1.381400    
 H   -6.652500      6.0300000E-02  0.5468000    
 H   -5.734100      0.8387000     -0.8629000    


%chk=000131369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131369

0 1
S 4.702252 -1.868297 0.348107
O 4.055983 0.631572 -0.238432
O -2.995417 1.024487 -0.736340
N 1.233576 0.321557 0.127530
N -2.334291 -0.996477 0.206303
C 1.839844 1.645139 0.371910
C -0.152081 0.161760 0.615966
C 2.136376 -0.759802 0.580376
C 3.089722 1.754939 -0.496557
C -0.942953 -0.854717 -0.249018
C 3.605986 -0.597864 0.187244
C -3.289584 -0.028519 -0.084688
C -4.665996 -0.334650 0.421643
C -5.700452 0.514012 0.196283
H 2.100551 1.814221 1.447097
H 1.129483 2.434464 0.068086
H -0.189224 -0.150795 1.689351
H -0.672108 1.131552 0.529794
H 1.802758 -1.730289 0.177495
H 2.126398 -0.862275 1.698129
H 2.826830 1.699016 -1.566662
H 3.678279 2.662638 -0.289471
H -0.941906 -0.485425 -1.289088
H -0.467354 -1.851309 -0.230360
H -2.605300 -1.821675 0.742358
H -4.817147 -1.270148 0.979001
H -6.713069 0.303942 0.555691
H -5.526956 1.440243 -0.364247


