%chk=000000663.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000663

0 1
 S    2.316900      -2.597200      1.4200000E-02
 S    4.046100       1.946000      -1.134500    
 O   -3.887500       1.149900      0.9327000    
 N   -5.106900     -9.0700001E-02 -0.5740000    
 C    1.089900     -0.1217000      0.3558000    
 C    2.390100     -0.7743000     -0.1563000    
 C  -0.1786000     -0.6248000     -0.3467000    
 C   -1.427400      7.2999999E-02  0.2036000    
 C    3.603800     -0.1999000      0.6060000    
 C   -2.707100     -0.3887000     -0.4918000    
 C    3.802000       1.318900      0.5527000    
 C   -3.941200      0.3095000      3.8100000E-02
 H   0.9938000     -0.2805000       1.438100    
 H    1.136600      0.9622000      0.2021000    
 H    2.493800     -0.5731000      -1.227600    
 H  -0.3070000      -1.703100     -0.2103000    
 H  -9.7599998E-02 -0.4386000      -1.424500    
 H   -1.507000     -0.1179000       1.281300    
 H   -1.319900       1.158600      8.5100003E-02
 H    4.520000     -0.6806000      0.2356000    
 H    3.526100     -0.4798000       1.665800    
 H   -2.839000      -1.468500     -0.3548000    
 H   -2.639500     -0.1923000      -1.568400    
 H    4.694400       1.580300       1.131700    
 H    2.963600       1.849300       1.012500    
 H    3.486700      -2.854700     -0.5889000    
 H    5.141200       1.222900      -1.411400    
 H   -5.119300     -0.7887000      -1.310700    
 H   -6.001400      0.3051000     -0.3045000    


%chk=000000663-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000663

0 1
S 2.339752 -2.629607 -0.019638
S 4.277069 1.835614 -1.284345
O -3.970013 1.608923 0.275965
N -5.181982 -0.279332 -0.302058
C 1.043262 -0.204141 0.479348
C 2.384602 -0.707132 -0.093037
C -0.190424 -0.533914 -0.390983
C -1.495671 0.035370 0.204823
C 3.618643 -0.188391 0.677672
C -2.733692 -0.312850 -0.650004
C 3.893146 1.319149 0.507612
C -3.993284 0.426618 -0.177239
H 0.906882 -0.616281 1.500489
H 1.106547 0.897380 0.592344
H 2.468235 -0.436532 -1.161238
H -0.273368 -1.632084 -0.510112
H -0.036624 -0.118622 -1.408874
H -1.638908 -0.353508 1.232894
H -1.437280 1.136646 0.292816
H 4.519762 -0.750383 0.362599
H 3.477475 -0.402580 1.756968
H -2.902058 -1.407518 -0.666310
H -2.545701 -0.003262 -1.698866
H 4.742421 1.635678 1.135084
H 3.021202 1.936641 0.778221
H 3.521991 -2.829744 -0.714789
H 5.466013 1.129404 -1.382343
H -5.209655 -1.236098 -0.649349
H -6.052742 0.181156 -0.036752


