%chk=000178525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178525

0 1
 S   0.1693000       1.077600     -0.2515000    
 S   -1.045200     -0.6084000     -1.6700000E-02
 O  -6.1799999E-02   1.963100      0.8730000    
 O   2.6900001E-02   1.556600      -1.612500    
 N   -5.137200     -0.3698000     -0.1555000    
 C   -3.804200     -0.9626000     -5.2999999E-02
 C   -2.714700      9.3800001E-02 -0.1888000    
 C    1.792500      0.4020000     -8.5299999E-02
 C    2.456100     -5.2400000E-02  -1.212900    
 C    2.374200      0.3386000       1.169800    
 C   -5.333600      0.6306000      0.8930000    
 C   -6.165400      -1.406400     -7.1800001E-02
 C    4.338400     -0.6568000      0.1758000    
 C    3.738400     -0.5857000      -1.081300    
 C    3.656500     -0.1947000       1.301400    
 C    5.709800      -1.225600      0.3163000    
 H   -3.692800      -1.498500      0.8998000    
 H   -3.677500      -1.700700     -0.8558000    
 H   -2.784700      0.5931000      -1.161200    
 H   -2.784100      0.8567000      0.5903000    
 H    2.003400     -1.2100000E-02  -2.198800    
 H    1.857000      0.6865000       2.058800    
 H   -4.756000       1.540300      0.7029000    
 H   -5.089900      0.2478000       1.890800    
 H   -6.379300      0.9617000      0.9123000    
 H   -7.162600     -0.9721000     -0.2046000    
 H   -6.144200      -1.934600      0.8884000    
 H   -6.037400      -2.142400     -0.8735000    
 H    4.258400     -0.9455000      -1.965200    
 H    4.112300     -0.2477000       2.286500    
 H    5.652700      -2.304400      0.4922000    
 H    6.305700      -1.048100     -0.5855000    
 H    6.246500     -0.7618000       1.150900    


%chk=000178525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178525

0 1
S 0.055802 1.387321 -1.606123
S -1.498809 -0.394991 -2.450993
O -0.826395 2.139285 -0.437520
O 0.727989 2.240718 -2.823000
N -4.429358 -0.378693 0.505971
C -3.262758 -0.835855 -0.268437
C -2.937400 0.165868 -1.401089
C 1.448572 0.464557 -0.736894
C 2.648415 0.276235 -1.440174
C 1.243376 0.023477 0.580023
C -4.151670 0.741354 1.423231
C -5.223537 -1.456769 1.119559
C 3.544060 -0.871080 0.553649
C 3.697777 -0.396265 -0.775657
C 2.310069 -0.643692 1.220324
C 4.670121 -1.617977 1.243832
H -2.348993 -0.976366 0.361671
H -3.504488 -1.819628 -0.710745
H -3.807413 0.333411 -2.058270
H -2.628215 1.146177 -0.973972
H 2.764065 0.664051 -2.457220
H 0.298909 0.224129 1.095171
H -3.651332 1.566652 0.888832
H -3.494353 0.444813 2.278590
H -5.099965 1.128300 1.836317
H -6.151775 -1.036318 1.546835
H -4.684344 -1.995289 1.938632
H -5.507380 -2.197989 0.351818
H 4.648895 -0.548991 -1.298374
H 2.182112 -0.988594 2.252792
H 4.594439 -2.705985 1.052866
H 5.658501 -1.289438 0.878874
H 4.642580 -1.474327 2.337783


