%chk=000094891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094891

0 1
 S  -0.4181000      0.9584000      0.7954000    
 O   0.5713000      0.2771000     -0.3172000    
 O  -0.3798000       2.405000      0.6344000    
 O  -0.1265000      0.3404000       2.082600    
 O    3.029000      -2.962900     -7.9999998E-04
 O   0.9937000      -2.145600     -9.5100001E-02
 N    2.238300      -1.994700     -9.5799997E-02
 C   -2.022500      0.4539000      0.3269000    
 C   -4.585800     -0.3539000     -0.4212000    
 C   -2.557200     -0.7300000      0.8355000    
 C   -2.769700       1.234000     -0.5557000    
 C    1.937100      0.4255000     -0.3154000    
 C   -3.838700      -1.133800      0.4612000    
 C   -4.051400      0.8300000     -0.9297000    
 C    2.771100     -0.6808000     -0.2079000    
 C    2.466500       1.706200     -0.4240000    
 C   -5.956400     -0.7852000     -0.8210000    
 C    4.154800     -0.5042000     -0.2090000    
 C    3.850200       1.882700     -0.4252000    
 C    4.694200      0.7777000     -0.3178000    
 H   -1.991000      -1.357500       1.518000    
 H   -2.371900       2.155400     -0.9713000    
 H   -4.244300      -2.058100      0.8641000    
 H   -4.623900       1.446100      -1.618100    
 H    1.831600       2.578600     -0.5358000    
 H   -6.697100     -0.3707000     -0.1300000    
 H   -6.044400      -1.876900     -0.8164000    
 H   -6.196100     -0.4491000      -1.835600    
 H    4.845400      -1.339700     -0.1276000    
 H    4.270500       2.880000     -0.5161000    
 H    5.771600      0.9156000     -0.3204000    


%chk=000094891-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094891

0 1
S -0.496352 1.407056 0.813067
O 0.654229 0.925024 -0.810650
O -0.651114 3.019255 0.733760
O 0.159754 0.715014 2.122288
O 2.342323 -2.911262 -0.361696
O 0.484188 -1.683445 0.100919
N 1.741367 -1.781420 -0.165414
C -2.106663 0.605141 0.311037
C -4.550924 -0.537304 -0.407962
C -2.332206 -0.736365 0.658846
C -3.027720 1.403862 -0.388036
C 1.982999 0.733217 -0.522500
C -3.575027 -1.295026 0.293833
C -4.258442 0.812336 -0.742759
C 2.560152 -0.552139 -0.245804
C 2.862344 1.853856 -0.589043
C -5.889253 -1.150939 -0.770835
C 3.954143 -0.703231 -0.077669
C 4.247789 1.705358 -0.398887
C 4.796607 0.423551 -0.141669
H -1.572430 -1.319849 1.183858
H -2.796213 2.445294 -0.630907
H -3.781868 -2.339919 0.549970
H -4.999577 1.408275 -1.286918
H 2.414578 2.829386 -0.803168
H -6.616471 -1.017185 0.053470
H -5.801364 -2.235227 -0.956474
H -6.322691 -0.680986 -1.670264
H 4.352564 -1.705115 0.103586
H 4.901591 2.582116 -0.450529
H 5.874181 0.304169 0.007547


