%chk=000066516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066516

0 1
 S    2.741000       1.839300       1.036200    
 S    2.342900      -3.660000     -0.4391000    
 S   -4.837400     -0.4083000     -9.4300002E-02
 O  -0.8167000       1.882900       1.952800    
 O    2.983700       3.035600       1.820800    
 O    3.860700       1.042700      0.5722000    
 O    2.871900      -3.234200      -1.926200    
 O   -4.985300      0.3205000      -1.550300    
 O    3.504400      -3.669000      0.4382000    
 O    1.509200      -4.843700     -0.5781000    
 O   -5.210600      -1.803300     -0.2780000    
 O   -5.514100      0.4165000      0.8944000    
 N    1.614300      0.8457000       1.873500    
 C  -0.3887000     -0.2590000      0.8721000    
 C  -0.9222000      -1.362600      0.1649000    
 C   0.9850000     -0.2288000       1.162600    
 C    1.296000      -2.356600      6.5700002E-02
 C  -6.6399999E-02  -2.403200     -0.2314000    
 C    1.820800      -1.271500      0.7616000    
 C   -1.244700      0.7815000       1.268100    
 C   -2.296000      -1.393100     -0.1253000    
 C   -3.131900     -0.3506000      0.2761000    
 C   -2.607100      0.7346000      0.9714000    
 C    1.807500       2.337400     -0.3826000    
 C    1.049400       3.492500     -0.3187000    
 C    1.854700       1.561100      -1.526400    
 C   0.3132000       3.884700      -1.436600    
 C    1.118600       1.953500      -2.644300    
 C   0.3479000       3.115300      -2.599400    
 H  -0.4766000      -3.246700     -0.7831000    
 H    2.878000      -1.251400       1.009500    
 H   -2.704500      -2.238200     -0.6758000    
 H    1.025300       1.315600       2.572300    
 H   -3.254300       1.552700       1.277800    
 H    1.002300       4.100300      0.5794000    
 H    2.449400      0.6550000      -1.583800    
 H   -1.564200       2.481900       2.119100    
 H  -0.2891000       4.787800      -1.400900    
 H    1.145000       1.354100      -3.549700    
 H    3.389800      -2.395900      -1.966700    
 H  -0.2262000       3.420100      -3.469500    
 H   -4.505700     -0.1169000      -2.292600    


%chk=000066516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066516

0 1
S 2.672327 1.999611 1.252056
S 2.310329 -3.197728 -0.932070
S -5.351678 -1.100988 0.455237
O -1.342735 1.671006 2.379155
O 2.616233 3.343381 2.155952
O 3.926178 0.976803 1.265589
O 3.114472 -1.866542 -1.981701
O -5.535685 -0.070782 -1.077947
O 3.435962 -3.705005 0.110652
O 1.527892 -4.254486 -1.869576
O -5.613566 -2.650813 0.081406
O -6.160466 -0.381711 1.658040
N 1.167215 1.058962 1.868330
C -0.769836 -0.267128 1.023258
C -1.223894 -1.407592 0.243803
C 0.663326 -0.050982 1.189583
C 1.064200 -2.035786 -0.142160
C -0.278595 -2.284567 -0.376800
C 1.570999 -0.989014 0.644953
C -1.779344 0.579871 1.608367
C -2.625389 -1.652093 0.063731
C -3.519215 -0.780010 0.657035
C -3.145832 0.340974 1.431928
C 2.266903 2.437684 -0.548041
C 1.678031 3.693865 -0.772100
C 2.572981 1.508490 -1.557143
C 1.368868 4.035518 -2.108441
C 2.240501 1.870937 -2.884291
C 1.643858 3.124106 -3.156613
H -0.607632 -3.116337 -1.006771
H 2.643432 -0.880492 0.836590
H -2.970346 -2.516614 -0.511685
H 0.500513 1.709398 2.314133
H -3.915239 0.974425 1.887786
H 1.494775 4.380589 0.060701
H 3.049361 0.546305 -1.344974
H -2.092590 2.170798 2.784852
H 0.919564 5.009477 -2.327492
H 2.451949 1.167511 -3.695553
H 3.995045 -2.236948 -2.281223
H 1.397272 3.395076 -4.188736
H -6.490840 -0.130870 -1.373919


