%chk=000033972.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033972

0 1
 S   -3.975000     -0.6246000     -0.4221000    
 O    2.969900     -0.4027000      -1.234800    
 N   0.8534000     -9.5100001E-02 -0.4357000    
 N    2.754400     -8.8699996E-02   1.015800    
 C  -0.1578000      0.1614000      0.5752000    
 C  -0.2764000       1.691500      0.7736000    
 C   -1.149600       2.348400     -0.3087000    
 C   -1.503700     -0.4442000      0.2779000    
 C   -2.584800       1.801900     -0.2922000    
 C   -2.582800      0.3139000     -0.1367000    
 C   -1.843200      -1.829700      0.3556000    
 C    2.180600     -0.1868000     -0.1432000    
 C   -3.153900      -2.065700      1.4000000E-03
 C    4.297700     -0.2389000     -0.7628000    
 C    4.171200     -0.3409000      0.7368000    
 H   0.1773000     -0.2704000       1.528300    
 H   0.7127000       2.164700      0.7841000    
 H  -0.7313000       1.892300       1.753000    
 H  -0.6999000       2.172000      -1.294100    
 H   -1.172900       3.434200     -0.1608000    
 H   -3.098900       2.102200      -1.212200    
 H   -3.129800       2.244700      0.5509000    
 H   0.5508000     -0.1489000      -1.404100    
 H   -1.159600      -2.614900      0.6527000    
 H   -3.667800      -3.016100     -2.8600000E-02
 H    4.666200      0.7423000      -1.080100    
 H    4.948400      -1.014100      -1.177500    
 H    4.436900      -1.343400       1.089800    
 H    4.816400      0.3817000       1.245300    


%chk=000033972-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033972

0 1
S -4.057533 -0.630160 -0.531142
O 2.946047 -0.542724 -1.291261
N 0.801073 -0.162877 -0.426080
N 2.750212 0.124499 0.957040
C -0.189526 0.156476 0.631469
C -0.306066 1.685206 0.888014
C -1.130644 2.391703 -0.209908
C -1.533711 -0.436034 0.242281
C -2.594325 1.872921 -0.229849
C -2.597806 0.367395 -0.147590
C -1.843823 -1.850766 0.232806
C 2.145413 -0.164358 -0.170731
C -3.140634 -2.132902 -0.151996
C 4.356954 -0.456557 -0.796132
C 4.213230 -0.074215 0.721496
H 0.183372 -0.317994 1.560075
H 0.713008 2.103830 0.959529
H -0.792478 1.839132 1.872352
H -0.658249 2.210248 -1.195416
H -1.130564 3.485184 -0.046057
H -3.114504 2.222847 -1.141795
H -3.149339 2.298112 0.632091
H 0.483650 -0.397986 -1.365102
H -1.119803 -2.622382 0.508209
H -3.641300 -3.094718 -0.243216
H 4.871933 0.313771 -1.394803
H 4.825708 -1.440186 -0.962613
H 4.594655 -0.874666 1.382548
H 4.763550 0.853303 0.962581


