%chk=000005325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005325

0 1
 S  -0.4009000       2.282100      0.1007000    
 O   -1.113900       3.182000      0.9995000    
 O  -6.6900000E-02   2.747600      -1.239800    
 N    1.030200       1.751200      0.8998000    
 N    1.732300     -0.4930000       1.088400    
 N    2.318600      0.8216000     -0.8442000    
 N   -3.587000      -2.717500     -0.3590000    
 C   -1.336200      0.8140000     -3.4299999E-02
 C   -2.222400      0.4558000      0.9816000    
 C   -1.197400     -8.9999998E-04  -1.158000    
 C   -2.830800      -1.531900     -0.2494000    
 C   -2.969600     -0.7172000      0.8740000    
 C   -1.944600      -1.173700      -1.265500    
 C    1.735700      0.6259000      0.3481000    
 C    2.403200      -1.528000      0.5419000    
 C    3.048000      -1.466000     -0.6767000    
 C    2.971600     -0.2538000      -1.331600    
 C    2.430200      -2.798200       1.324400    
 H   0.9679000       1.719800       1.925800    
 H   -2.341500       1.070800       1.869200    
 H  -0.5132000      0.2573000      -1.961300    
 H   -3.655600     -0.9864000       1.673100    
 H   -1.827200      -1.800600      -2.145700    
 H    3.581400      -2.307200      -1.100500    
 H    3.446900     -0.1095000      -2.295900    
 H    1.878600      -2.692700       2.264600    
 H    1.967700      -3.608100      0.7513000    
 H    3.461200      -3.074400       1.567000    
 H   -4.228400      -2.978700      0.3781000    
 H   -3.485200      -3.309400      -1.172700    


%chk=000005325-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005325

0 1
S -0.418253 1.722570 0.487774
O -0.954494 2.604531 1.746556
O 0.279736 2.425260 -0.792657
N 0.802967 0.627974 1.373171
N 2.805085 -0.558929 1.500250
N 1.434818 -0.617629 -0.535860
N -4.955949 -1.822731 -1.343475
C -1.780458 0.589359 -0.071661
C -2.877261 0.415689 0.792188
C -1.700055 -0.005143 -1.343584
C -3.902271 -1.022326 -0.920622
C -3.940796 -0.395389 0.363273
C -2.769228 -0.811140 -1.766713
C 1.714383 -0.204557 0.741270
C 3.698213 -1.423731 0.934221
C 3.504517 -1.900042 -0.392548
C 2.356808 -1.460352 -1.083635
C 4.891376 -1.830822 1.766846
H 1.058042 1.015988 2.289940
H -2.900574 0.922399 1.762168
H -0.817799 0.156459 -1.968515
H -4.808657 -0.543511 1.015894
H -2.732657 -1.285182 -2.754163
H 4.221252 -2.578719 -0.861597
H 2.153435 -1.788230 -2.109096
H 4.836765 -1.353749 2.756996
H 4.926643 -2.928114 1.898157
H 5.835748 -1.529137 1.277048
H -5.767319 -1.974317 -0.750931
H -4.941318 -2.265579 -2.257794


