%chk=000007648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007648

0 1
 S   0.5900000       1.718500      0.7849000    
 S  -0.5805000       1.651500     -0.8955000    
 O    4.003900      -1.038200     -0.2551000    
 O   -4.009700      -1.012800      0.3204000    
 N    1.679600      0.5302000      0.3468000    
 N   -1.676700      0.5013000     -0.3789000    
 C    2.468200      0.7300000     -0.8824000    
 C    2.541100     -3.7599999E-02   1.398900    
 C   -2.472800      0.7928000      0.8267000    
 C   -2.533000     -0.1400000      -1.392500    
 C    3.164900     -0.5597000      -1.303900    
 C    3.235200      -1.306800      0.9153000    
 C   -3.176200     -0.4607000       1.337000    
 C   -3.234000      -1.368500     -0.8219000    
 H    3.224000       1.506100     -0.6998000    
 H    1.874200       1.061300      -1.738400    
 H    1.948400     -0.2877000       2.287400    
 H    3.293300      0.7042000       1.698000    
 H   -3.224600       1.556000      0.5833000    
 H   -1.881000       1.183800       1.658800    
 H   -1.935100     -0.4560000      -2.256100    
 H   -3.280900      0.5798000      -1.750200    
 H    2.442100      -1.336600      -1.581700    
 H    3.799700     -0.3719000      -2.175900    
 H    3.919900      -1.673400       1.686800    
 H    2.513700      -2.106100      0.7062000    
 H   -2.457600      -1.217000       1.675800    
 H   -3.816100     -0.2079000       2.188600    
 H   -3.914600      -1.789100      -1.568900    
 H   -2.516400      -2.152200     -0.5496000    


%chk=000007648-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007648

0 1
S 0.735532 1.602519 0.975813
S -0.741117 1.534187 -1.084926
O 3.179792 -1.207123 -1.182277
O -3.171184 -1.110131 1.269567
N 2.171185 0.610741 0.830821
N -2.178802 0.555295 -0.878235
C 3.259975 1.020436 -0.089657
C 2.114907 -0.856134 1.033076
C -3.268520 1.027626 0.011219
C -2.116621 -0.922847 -0.969778
C 3.165567 0.248776 -1.425978
C 2.050831 -1.599984 -0.322160
C -3.166223 0.360287 1.401985
C -2.042471 -1.560391 0.437642
H 4.225762 0.783660 0.399915
H 3.199130 2.108925 -0.253832
H 1.246027 -1.100185 1.667387
H 3.038859 -1.159028 1.565244
H -4.233455 0.747863 -0.456542
H -3.214001 2.125779 0.092091
H -1.248210 -1.208853 -1.586875
H -3.040931 -1.269237 -1.473738
H 2.236737 0.534587 -1.964487
H 4.042488 0.447064 -2.063960
H 2.151386 -2.689453 -0.183231
H 1.090933 -1.376016 -0.835825
H -2.238084 0.692284 1.914306
H -4.042839 0.600253 2.025945
H -2.135370 -2.657988 0.383316
H -1.082283 -1.289611 0.927274


