%chk=000083523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083523

0 1
 S    2.085400      0.8620000       1.587200    
 O  -0.4063000       2.057300       1.010000    
 O   -3.109800      -2.199200     -0.7494000    
 N   -1.087000      -3.813200     -0.4083000    
 C  -0.3356000     -0.2818000      0.5568000    
 C   -1.048600      -1.390800      9.6400000E-02
 C   -2.380600       1.188200      0.1825000    
 C   -3.093300      7.9200000E-02 -0.2783000    
 C  -0.9756000       1.048200      0.6169000    
 C   -2.453300      -1.250800     -0.3382000    
 C   0.9955000     -0.4279000      0.9653000    
 C  -0.4305000      -2.646000      4.5000002E-02
 C    1.607600      -1.680500      0.9122000    
 C   0.8961000      -2.787100      0.4531000    
 C   -2.998800       2.443200      0.2346000    
 C   -4.424500      0.2254000     -0.6868000    
 C   -4.325500       2.584400     -0.1736000    
 C   -5.036800       1.478000     -0.6333000    
 C    3.396100      0.7999000      0.3790000    
 C    3.115100       1.038200     -0.9658000    
 C    4.700200      0.5135000      0.7803000    
 C    4.140000      0.9903000      -1.910600    
 C    5.725100      0.4655000     -0.1647000    
 C    5.445100      0.7039000      -1.510200    
 H    2.634100      -1.840400       1.234600    
 H    1.389500      -3.755700      0.4222000    
 H   -2.469900       3.324100      0.5883000    
 H   -5.002900     -0.6201000      -1.049500    
 H   -4.804500       3.558400     -0.1330000    
 H   -6.069600       1.590700     -0.9504000    
 H  -0.5925000      -4.695600     -0.4242000    
 H   -2.048100      -3.779900     -0.7170000    
 H    2.106900       1.269800      -1.300500    
 H    4.937400      0.3244000       1.824300    
 H    3.922300       1.177400      -2.958100    
 H    6.741300      0.2424000      0.1470000    
 H    6.243100      0.6668000      -2.245900    


%chk=000083523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083523

0 1
S 1.873788 1.560869 -0.160121
O -0.600930 2.389773 0.074560
O -3.404875 -2.362324 -0.080302
N -1.206785 -3.699678 -0.359750
C -0.515019 -0.006752 -0.116016
C -1.254141 -1.250153 -0.159663
C -2.720542 1.258242 0.154557
C -3.437254 0.029988 0.113283
C -1.237748 1.277882 0.039706
C -2.719874 -1.262374 -0.046048
C 0.905647 -0.008341 -0.222307
C -0.546060 -2.496486 -0.315283
C 1.579081 -1.256718 -0.380194
C 0.882285 -2.459274 -0.426045
C -3.424601 2.479921 0.305419
C -4.851051 0.036386 0.224150
C -4.827980 2.478834 0.414952
C -5.543361 1.252851 0.374233
C 3.613597 0.902264 -0.310462
C 4.233582 0.854123 -1.580748
C 4.349497 0.590300 0.856568
C 5.593791 0.478014 -1.684163
C 5.709033 0.213578 0.749064
C 6.331468 0.156446 -0.520458
H 2.668661 -1.272075 -0.467857
H 1.431281 -3.400425 -0.549204
H -2.846184 3.408492 0.333095
H -5.374689 -0.923601 0.188821
H -5.369253 3.423865 0.531605
H -6.635420 1.254610 0.459434
H -0.689663 -4.569208 -0.471186
H -2.238285 -3.660709 -0.275697
H 3.657206 1.112427 -2.475372
H 3.862339 0.646440 1.835782
H 6.074256 0.442035 -2.668122
H 6.279253 -0.027170 1.653091
H 7.386050 -0.129852 -0.601423


