%chk=000073302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073302

0 1
 S    1.851700     -0.6999000       1.542900    
 O   -3.466900      -1.784000      2.5500000E-02
 O   -3.902700       1.335500      -1.795800    
 O  -0.7214000      -2.876600      -1.412400    
 O   0.3752000      -3.338900      0.5404000    
 O    4.678200       1.240800      -2.268100    
 N   -1.526100     -0.5139000     -0.4020000    
 N    5.085700      0.9218000      1.6400000E-02
 C   -1.519100      0.9151000     -2.7600000E-02
 C   -3.021300      0.7120000      0.3460000    
 C  -0.3044000       1.045500      0.9157000    
 C   -2.815100     -0.7667000     -4.6399999E-02
 C   0.3483000     -0.3212000      0.8026000    
 C  -0.4144000      -1.146200      7.2300002E-02
 C   -4.141900       1.402800     -0.3892000    
 C  -0.6565000       1.455800       2.336100    
 C   -4.256500       2.866700      2.3800001E-02
 C    2.922800      0.5052000      0.7219000    
 C  -0.1968000      -2.561700     -0.2076000    
 C    4.375900      0.3917000       1.149600    
 C    2.978300      0.3170000     -0.7950000    
 C    4.326900      0.8994000      -1.149400    
 H   -1.380500       1.543900     -0.9189000    
 H   -3.199500      0.7867000       1.428700    
 H   0.3639000       1.806100      0.4937000    
 H   -5.093100      0.8971000     -0.1875000    
 H   0.2440000       1.625900       2.935500    
 H   -1.238600       2.383500       2.334300    
 H   -1.254800      0.6898000       2.841600    
 H    2.576800       1.520800      0.9517000    
 H   -3.337400       3.412900     -0.2156000    
 H   -5.069800       3.358600     -0.5199000    
 H   -4.442500       2.962300       1.098000    
 H    4.608100      0.9860000       2.037700    
 H    4.713900     -0.6399000       1.295000    
 H    2.184100      0.8662000      -1.308400    
 H    2.972100     -0.7344000      -1.102800    
 H   -4.646700       1.776200      -2.240500    
 H    6.052200       1.230600      4.8200000E-02
 H  -0.5929000      -3.823700      -1.633600    


%chk=000073302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073302

0 1
S 2.016010 -1.113557 0.788517
O -4.007583 -1.625399 0.707517
O -3.930797 1.250738 -1.769959
O -1.582975 -3.637738 -0.725818
O 0.557753 -3.649999 0.206509
O 5.022553 2.472017 -1.698335
N -1.874352 -0.877050 -0.248849
N 5.124658 1.344628 0.374497
C -1.630471 0.609901 -0.218662
C -3.059750 0.782203 0.417044
C -0.283013 0.753744 0.565194
C -3.169226 -0.781373 0.351932
C 0.318049 -0.663285 0.389003
C -0.658255 -1.573136 0.008776
C -4.099976 1.609089 -0.347017
C -0.416949 1.104850 2.070385
C -3.931580 3.126020 -0.136503
C 2.913759 0.557437 0.592726
C -0.476816 -3.018904 -0.142435
C 4.345503 0.395564 1.188431
C 3.145698 1.019956 -0.861212
C 4.522241 1.720836 -0.821778
H -1.563491 1.021970 -1.237624
H -3.035673 1.107482 1.472170
H 0.342384 1.519117 0.072340
H -5.104280 1.289813 0.007557
H 0.567067 1.093040 2.571589
H -0.853964 2.112418 2.194743
H -1.058612 0.374456 2.594386
H 2.361393 1.319374 1.165577
H -2.934231 3.456466 -0.478323
H -4.691082 3.690783 -0.708460
H -4.047115 3.395086 0.930186
H 4.376158 0.650226 2.261671
H 4.716369 -0.643324 1.066809
H 2.376662 1.708635 -1.245155
H 3.209962 0.164120 -1.558501
H -4.708376 1.575673 -2.288112
H 6.080195 1.624910 0.598635
H -1.418646 -4.617983 -0.772550


