%chk=000013977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013977

0 1
 S    1.269300       2.183300     -0.9243000    
 O    1.500600      -3.062700      0.3736000    
 O   0.7001000       1.840900       1.621100    
 N    1.106400     -0.8273000     -0.2203000    
 C    2.402800     -0.2580000     -0.1807000    
 C    2.606300       1.080700     -0.4754000    
 C    3.459100      -1.087500      0.1639000    
 C  -0.6907000      -2.445000     -0.1038000    
 C   0.7251000      -2.149600      4.7100000E-02
 C    3.898400       1.603800     -0.4242000    
 C    4.751200     -0.5642000      0.2150000    
 C    4.970900      0.7814000     -7.9200000E-02
 C   -1.210300       2.281900      0.3194000    
 C   -1.269900      -3.478400      0.6328000    
 C   -1.469900      -1.694800     -0.9845000    
 C   0.2495000       2.093700      0.5102000    
 C   -2.084200       1.603200       1.144200    
 C   -1.649400       3.130300     -0.6768000    
 C   -2.627900      -3.761800      0.4885000    
 C   -2.828100      -1.978200      -1.128800    
 C   -3.407100      -3.011700     -0.3922000    
 C   -3.456200       1.780100      0.9650000    
 C   -3.021300       3.307300     -0.8558000    
 C   -3.924700       2.632200     -3.4899998E-02
 H   0.3806000     -0.1624000     -0.4650000    
 H    3.388100      -2.135600      0.4068000    
 H    4.092500       2.649900     -0.6493000    
 H    5.587500      -1.203200      0.4836000    
 H    5.976900       1.188500     -3.9299998E-02
 H  -0.6820000      -4.071500       1.328500    
 H   -1.058700     -0.9066000      -1.608100    
 H   -1.733600      0.9314000       1.922100    
 H  -0.9819000       3.697600      -1.316700    
 H   -3.079200      -4.565800       1.062600    
 H   -3.433700      -1.399300      -1.820100    
 H   -4.464300      -3.233000     -0.5056000    
 H   -4.159700       1.252800       1.602700    
 H   -3.386900       3.975900      -1.629900    
 H   -4.992900       2.770700     -0.1738000    


%chk=000013977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013977

0 1
S 0.742161 1.613386 -1.087495
O 1.756210 -3.446104 0.461594
O 0.444550 1.752700 1.665721
N 1.111380 -1.315259 -0.290594
C 2.307672 -0.575275 -0.147416
C 2.286219 0.818538 -0.465700
C 3.530676 -1.153976 0.292661
C -0.517086 -3.148314 -0.334944
C 0.878751 -2.665466 -0.023458
C 3.449827 1.603581 -0.349762
C 4.687002 -0.356160 0.404090
C 4.660117 1.020746 0.086279
C -1.356704 2.838917 0.448871
C -0.928320 -4.361078 0.275846
C -1.411518 -2.478279 -1.212681
C -0.077754 2.084780 0.585516
C -2.097695 3.088321 1.638044
C -1.849129 3.310034 -0.797072
C -2.214871 -4.884189 0.035370
C -2.698487 -3.005772 -1.456358
C -3.106522 -4.205627 -0.829025
C -3.315875 3.792918 1.577060
C -3.068149 4.016901 -0.852044
C -3.804075 4.258253 0.332321
H 0.314350 -0.754422 -0.611415
H 3.542852 -2.215648 0.544710
H 3.401138 2.668161 -0.598865
H 5.618850 -0.819810 0.746376
H 5.561891 1.634299 0.178119
H -0.215672 -4.873863 0.929827
H -1.112104 -1.565984 -1.743678
H -1.701955 2.720842 2.590457
H -1.280610 3.137748 -1.717240
H -2.522737 -5.818098 0.517975
H -3.377717 -2.486657 -2.141351
H -4.106124 -4.611856 -1.019337
H -3.884382 3.980309 2.494093
H -3.442815 4.382495 -1.813814
H -4.750646 4.807907 0.285719


