%chk=000094096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094096

0 1
 S  -0.7473000       2.314200     -8.2400002E-02
 O   -1.425100       2.485700       1.394100    
 O   0.2889000       3.327800     -0.1976000    
 O   -1.814200       2.223500      -1.064600    
 O   -2.689700      -2.694700      3.4899998E-02
 O    4.073400      -1.700000      3.5200000E-02
 O    4.152100      0.4932000     -1.9500000E-02
 N   -2.099100     -0.4136000     -2.2299999E-02
 N    3.505000     -0.5817000      4.0000002E-03
 C   3.7300002E-02  0.7489000     -4.3400001E-02
 C  -0.7018000     -0.4338000     -1.8200001E-02
 C    1.431500      0.7003000     -3.7099998E-02
 C  -4.7200002E-02  -1.665100      1.3400000E-02
 C    2.086100     -0.5311000     -5.5999998E-03
 C    1.346800      -1.713700      1.9700000E-02
 C   -2.978000      -1.502900      2.0000001E-03
 C   -4.418700      -1.057100     -1.2500000E-02
 H    2.005700       1.622200     -5.3399999E-02
 H  -0.5412000      -2.625400      3.4100000E-02
 H    1.824200      -2.690100      4.4900000E-02
 H   -2.533600      0.5047000     -4.1800000E-02
 H  -0.7940000       2.486800       2.151800    
 H   -4.630500     -0.4633000      0.8812000    
 H   -5.076900      -1.930200     -2.3800001E-02
 H   -4.612500     -0.4559000     -0.9054000    


%chk=000094096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094096

0 1
S -0.702947 2.350339 -0.019381
O -0.800553 2.491570 1.820039
O 0.305854 3.470086 -0.587297
O -2.229206 2.271145 -0.595251
O -2.715283 -2.741867 0.100401
O 4.169957 -1.794408 0.058446
O 4.230251 0.489275 -0.005810
N -2.124443 -0.468691 -0.094866
N 3.599187 -0.636936 0.020637
C 0.074230 0.643113 -0.036509
C -0.728329 -0.543395 -0.031845
C 1.472291 0.646134 -0.020515
C -0.013619 -1.782979 0.012361
C 2.121099 -0.601799 0.006534
C 1.386563 -1.808675 0.034392
C -3.052211 -1.533250 -0.029468
C -4.502558 -1.079465 -0.099797
H 2.052671 1.574432 -0.036915
H -0.597585 -2.704627 0.028868
H 1.928470 -2.757781 0.064803
H -2.515776 0.481102 -0.244171
H -1.091616 3.423405 2.047100
H -4.887366 -0.919397 0.924596
H -5.103486 -1.876879 -0.562501
H -4.634394 -0.141753 -0.666151


