%chk=000177871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177871

0 1
 S  -0.3443000     -2.4599999E-02 -0.7235000    
 O    2.439500     -0.8347000       1.601200    
 O   -1.464600       2.353400      0.8431000    
 O   -5.324100      -1.248500     -0.7497000    
 O    4.713300       2.352500      0.3216000    
 O    3.203900       1.810800      -1.288000    
 N    1.530300      -3.396000      0.5980000    
 N    3.344600     -0.8197000     -0.5349000    
 C    1.351400      -2.137200     -0.1296000    
 C  -7.2899997E-02  -1.625800      0.1009000    
 C    2.414000      -1.191700      0.4248000    
 C   -2.046300      0.3084000     -0.2872000    
 C   -2.398800       1.446700      0.4370000    
 C    4.460500      4.5200001E-02 -0.2329000    
 C   -3.028300     -0.5975000     -0.6863000    
 C   -4.364600     -0.3649000     -0.3608000    
 C   -3.735200       1.679300      0.7627000    
 C   -4.717900      0.7735000      0.3638000    
 C    4.039700       1.470800     -0.4601000    
 H    1.510100      -2.326700      -1.197500    
 H  -0.2682000      -1.489400       1.171400    
 H  -0.7916000      -2.358400     -0.2816000    
 H    2.440500      -3.795500      0.3706000    
 H   0.8379000      -4.074600      0.2829000    
 H    3.245700      -1.147700      -1.490900    
 H    5.289800     -0.2014000     -0.9005000    
 H    4.759300     -9.5600002E-02  0.8101000    
 H   -2.768400      -1.482900      -1.262000    
 H   -4.026200       2.561500       1.326500    
 H   -5.757200      0.9600000      0.6204000    
 H   -1.904900       3.070700       1.330400    
 H   -4.903800      -1.976500      -1.239000    
 H    4.439900       3.278600      0.1480000    


%chk=000177871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177871

0 1
S -0.495908 -1.403527 -1.432224
O 2.275639 -1.036635 1.966046
O -0.297951 0.376043 1.066337
O -5.390071 0.548768 -1.347686
O 3.817159 3.080084 -0.687026
O 3.342985 1.405521 -2.231447
N 2.034637 -3.630042 1.105421
N 2.549579 -0.323963 -0.224648
C 1.628895 -2.584017 0.163760
C 0.075998 -2.511634 0.028420
C 2.180752 -1.250683 0.714080
C -1.810052 -0.379940 -0.658873
C -1.587930 0.405612 0.502127
C 2.929981 1.026240 0.170673
C -3.077231 -0.341970 -1.286493
C -4.111339 0.469912 -0.763907
C -2.633888 1.200017 1.029438
C -3.895507 1.235543 0.403318
C 3.373523 1.809018 -1.048460
H 2.063371 -2.777786 -0.838321
H -0.372709 -2.112303 0.949994
H -0.324372 -3.518189 -0.182730
H 2.107365 -3.287752 2.069876
H 1.584296 -4.539960 0.993712
H 2.373340 -0.487411 -1.220788
H 3.740434 1.003913 0.921605
H 2.078771 1.555584 0.645467
H -3.244452 -0.965805 -2.172852
H -2.458435 1.807624 1.926028
H -4.709921 1.848030 0.799264
H -0.286991 0.730942 1.989062
H -5.443979 -0.014125 -2.159026
H 4.087111 3.584989 -1.501246


