%chk=000171329.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171329

0 1
 S  -0.7956000      -1.873600      0.3142000    
 O   -2.992800     -0.7614000     -0.6489000    
 O    1.428000     -0.3846000      4.0300000E-02
 O    2.685800       1.491600     -0.4131000    
 N   0.3594000      0.4556000     -0.3023000    
 N    3.658100     -0.5006000      0.2643000    
 C   -2.103100      0.3469000     -0.4786000    
 C   -2.582500       1.247100      0.6498000    
 C  -0.7360000     -0.2120000     -0.1951000    
 C   -2.598000      -1.847100      0.1925000    
 C   -3.956100       1.785600      0.3946000    
 C    2.597800      0.3164000     -7.0600003E-02
 C    5.035000     -6.3800000E-02  0.2531000    
 H   -2.072100      0.9031000      -1.422100    
 H   -1.881100       2.080100      0.7803000    
 H   -2.592800      0.7001000       1.600600    
 H   -3.041000      -1.711500       1.184000    
 H   -2.971900      -2.781100     -0.2350000    
 H   -4.255700       2.462800       1.201200    
 H   -3.994800       2.348500     -0.5437000    
 H   -4.702300      0.9862000      0.3429000    
 H    3.459800      -1.457600      0.5394000    
 H    5.415600     -0.1113000       1.276300    
 H    5.127500      0.9552000     -0.1296000    
 H    5.605600     -0.7505000     -0.3768000    


%chk=000171329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171329

0 1
S -0.879964 -2.051651 0.410140
O -3.032666 -0.836226 -0.740247
O 1.503647 -0.367302 0.083867
O 2.813687 1.578026 -0.439954
N 0.317997 0.410237 -0.310254
N 3.751386 -0.467228 0.260883
C -2.124046 0.301402 -0.461172
C -2.625104 1.203171 0.690145
C -0.752701 -0.319276 -0.153146
C -2.800169 -1.891251 0.211029
C -3.983334 1.856786 0.366187
C 2.730449 0.391281 -0.076572
C 5.154120 -0.044023 0.237164
H -2.085727 0.871247 -1.403905
H -1.851715 1.976478 0.856729
H -2.687696 0.615478 1.626936
H -3.209837 -1.673411 1.212952
H -3.197331 -2.825729 -0.207173
H -4.339500 2.463135 1.217850
H -3.902968 2.522588 -0.513058
H -4.747379 1.092241 0.140609
H 3.502515 -1.419224 0.530649
H 5.610726 -0.108919 1.242109
H 5.187105 1.004808 -0.097648
H 5.745304 -0.658536 -0.466421


