%chk=000129403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129403

0 1
 S   -4.168400     -0.2015000     -0.9715000    
 O    2.796000     -0.4749000      0.4491000    
 O  -0.4858000       2.365000     -0.4663000    
 O    4.355200     -5.7799999E-02  -1.066300    
 O    4.067900      -2.162700     -0.3892000    
 N   0.2325000      0.7020000      0.9610000    
 N   -2.096700     -0.6660000      0.5032000    
 N    3.827700     -0.9533000     -0.4055000    
 C    1.476100       1.336300       1.306800    
 C    2.591500      0.9293000      0.3613000    
 C   -1.917700      0.5203000     -0.1467000    
 C  -0.6788000       1.278400      7.7799998E-02
 C   -3.265800      -1.145700      0.1415000    
 C   -2.901300      0.9542000     -0.9808000    
 C   -3.832100      -2.423500      0.6258000    
 H    1.711900       1.019700       2.328300    
 H    1.348900       2.423800       1.299800    
 H    3.503900       1.461600      0.6570000    
 H    2.315400       1.208400     -0.6637000    
 H   1.7899999E-02 -0.1982000       1.380600    
 H   -2.959500       1.850800      -1.581900    
 H   -3.143700      -2.907600       1.326300    
 H   -4.779700      -2.260200       1.149300    
 H   -4.004800      -3.116500     -0.2040000    


%chk=000129403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129403

0 1
S -4.452151 -0.068726 -0.716291
O 2.786006 -0.506398 0.705247
O -0.718350 2.759620 -0.206406
O 4.497600 -0.627200 -0.942396
O 3.963250 -2.463568 0.328688
N 0.208569 0.849390 0.786565
N -2.083259 -0.616891 0.369489
N 3.859551 -1.270241 -0.052569
C 1.496151 1.474453 1.076825
C 2.646228 0.903700 0.235352
C -2.044998 0.729070 -0.050703
C -0.810987 1.544865 0.158836
C -3.237458 -1.202060 0.115496
C -3.201255 1.202066 -0.647358
C -3.605757 -2.619816 0.430505
H 1.740820 1.377290 2.150781
H 1.394377 2.549194 0.837441
H 3.589761 1.447762 0.420927
H 2.410056 0.915822 -0.842192
H 0.034261 -0.131803 1.026678
H -3.374822 2.202351 -1.037004
H -2.747278 -3.112230 0.914269
H -4.473113 -2.671319 1.113065
H -3.866602 -3.183430 -0.483343


