%chk=000046432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046432

0 1
 S  -0.8137000      0.3291000       1.048700    
 O    1.059300      -1.552200      -1.577500    
 N   0.8676000      -2.259400      0.5823000    
 C   0.7983000      0.1605000      0.1597000    
 C    1.946500      0.4705000       1.159700    
 C   0.8516000       1.198700     -0.9945000    
 C   0.9224000      -1.277800     -0.3859000    
 C    3.365700      0.3340000      0.6111000    
 C   0.6609000       2.660200     -0.5941000    
 C   -1.886800     -6.1500002E-02 -0.3464000    
 C   -3.304100     -1.7999999E-02  2.1199999E-02
 C   -4.467600      1.6100001E-02  0.3157000    
 H    1.837900       1.473600       1.589100    
 H    1.878800     -0.2120000       2.018000    
 H    1.822400       1.119600      -1.501300    
 H   0.1440000      0.9518000      -1.793100    
 H    4.089700      0.4723000       1.421200    
 H    3.538900     -0.6550000      0.1773000    
 H    3.580200       1.091400     -0.1476000    
 H   0.7389000       3.290200      -1.487400    
 H  -0.3219000       2.852800     -0.1568000    
 H    1.431400       3.003200      0.1010000    
 H   -1.754300      0.6658000      -1.149500    
 H   -1.660300      -1.057000     -0.7383000    
 H   0.9437000      -3.240100      0.3336000    
 H   0.7197000      -2.049500       1.563800    
 H   -5.499500      4.6399999E-02  0.5771000    


%chk=000046432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046432

0 1
S -0.819285 0.467502 1.032570
O 1.719302 -1.537978 -1.401386
N 0.438958 -2.216984 0.410645
C 0.870751 0.223512 0.105672
C 1.929652 0.500888 1.223962
C 0.981893 1.184009 -1.104640
C 1.029473 -1.249345 -0.375936
C 3.393677 0.424412 0.735076
C 0.948854 2.684460 -0.756522
C -2.051241 0.034929 -0.374301
C -3.378759 -0.215010 0.180530
C -4.504074 -0.420863 0.641048
H 1.731568 1.503244 1.648736
H 1.775961 -0.228004 2.042981
H 1.916965 0.929368 -1.636578
H 0.174700 0.947435 -1.824172
H 4.079529 0.567329 1.589509
H 3.617824 -0.551195 0.270484
H 3.615370 1.209193 -0.009573
H 0.952326 3.288100 -1.682086
H 0.042595 2.942534 -0.178727
H 1.828631 2.989003 -0.161146
H -2.072421 0.880092 -1.082121
H -1.659796 -0.861935 -0.886328
H 0.582572 -3.197660 0.171455
H -0.169578 -1.944201 1.187164
H -5.485748 -0.599136 1.040783


