%chk=000087657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087657

0 1
 S   0.8989000      -1.907500     -4.6799999E-02
 O    1.823800      -2.664300      0.7760000    
 O   0.5702000      -2.376600      -1.379200    
 N  -0.5422000      -1.621400      0.8510000    
 C   -1.468400     -0.6433000      0.3712000    
 C    1.565000     -0.2747000     -0.1980000    
 C   -1.697300      0.5346000       1.082300    
 C   -2.146900     -0.8791000     -0.8245000    
 C   -2.604700       1.476700      0.5978000    
 C    2.429800      0.1924000      0.7750000    
 C    1.206100      0.5012000      -1.285000    
 C  -0.9846000      0.8117000       2.365800    
 C   -3.054200      6.3199997E-02  -1.309200    
 C   -3.283000       1.240900     -0.5980000    
 C    2.953700       1.479800      0.6569000    
 C    1.730000       1.788600      -1.403200    
 C    2.603800       2.277800     -0.4322000    
 H  -0.4578000      -1.688000       1.873000    
 H   -1.997900      -1.797900      -1.384400    
 H   -2.795600       2.399400       1.139200    
 H    2.707200     -0.4096000       1.634600    
 H   0.5299000      0.1394000      -2.053000    
 H   -1.226000       1.807200       2.754700    
 H   -1.280800      8.5199997E-02   3.129700    
 H   9.8700002E-02  0.7773000       2.236800    
 H   -3.585500     -0.1221000      -2.238200    
 H   -3.990200       1.973900     -0.9749000    
 H    3.632000       1.861800       1.414200    
 H    1.457400       2.410200      -2.251100    
 H    3.011000       3.280400     -0.5238000    


%chk=000087657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087657

0 1
S 0.934632 -1.886666 -0.067143
O 1.855357 -2.772610 0.938746
O 0.511698 -2.373563 -1.555224
N -0.738201 -1.667615 0.914073
C -1.630638 -0.673356 0.426378
C 1.744182 -0.177729 -0.249187
C -1.908703 0.524593 1.165027
C -2.283060 -0.925416 -0.813369
C -2.867971 1.421450 0.639018
C 2.685939 0.206906 0.720324
C 1.372474 0.616722 -1.346195
C -1.211971 0.814390 2.482922
C -3.206502 0.003912 -1.329013
C -3.507931 1.178182 -0.598297
C 3.286902 1.479063 0.577476
C 1.980024 1.888861 -1.465096
C 2.928924 2.316624 -0.506630
H -0.417720 -1.537962 1.890079
H -2.056465 -1.856299 -1.341592
H -3.106642 2.331620 1.202255
H 2.959285 -0.477556 1.530430
H 0.655428 0.245397 -2.084857
H -1.513509 1.799691 2.875114
H -1.460436 0.065504 3.260699
H -0.109985 0.825478 2.371146
H -3.704118 -0.195836 -2.283993
H -4.239074 1.896435 -0.985058
H 4.035913 1.809068 1.304850
H 1.715407 2.537377 -2.306517
H 3.399162 3.300536 -0.609665


