%chk=000010842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010842

0 1
 S   0.6540000       2.905300     -0.7937000    
 S  -0.6552000       2.905700      0.7946000    
 O    3.215300      -2.843800     -0.2213000    
 O   -3.214200      -2.844300      0.2211000    
 O    1.354000      -2.307100      -1.254200    
 O   -1.353700      -2.307000       1.255100    
 N    2.369600      -1.992500     -0.5878000    
 N   -2.368900      -1.992700      0.5880000    
 C    1.836500       1.671500     -0.2879000    
 C   -1.838000       1.670500      0.2878000    
 C    2.567600     -0.6307000     -0.2370000    
 C   -2.567300     -0.6310000      0.2370000    
 C    1.641200      0.3341000     -0.6330000    
 C   -1.641500      0.3341000      0.6334000    
 C    2.958100       2.043900      0.4530000    
 C   -2.958300       2.043400     -0.4535000    
 C    3.689200     -0.2581000      0.5038000    
 C   -3.688600     -0.2588000     -0.5045000    
 C    3.884500       1.079100      0.8488000    
 C   -3.884200       1.078300     -0.8497000    
 H   0.7677000      6.1000001E-02  -1.221000    
 H  -0.7681000      6.1600000E-02   1.222000    
 H    3.127800       3.081200      0.7312000    
 H   -3.127900       3.080700     -0.7318000    
 H    4.431700     -0.9820000      0.8295000    
 H   -4.430600     -0.9831000     -0.8306000    
 H    4.757800       1.369600       1.425600    
 H   -4.757100       1.368300      -1.427100    


%chk=000010842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010842

0 1
S 0.849221 3.298577 -0.805929
S -0.849918 3.298342 0.805988
O 2.553726 -2.904806 -0.585909
O -2.552796 -2.905476 0.585525
O 0.716809 -1.987338 -1.580576
O -0.716097 -1.987599 1.580219
N 1.792864 -1.905618 -0.870976
N -1.792194 -1.906109 0.870656
C 1.791550 1.826283 -0.256700
C -1.791884 1.825839 0.256681
C 2.175267 -0.567120 -0.346759
C -2.174955 -0.567673 0.346546
C 1.443960 0.559082 -0.777966
C -1.443953 0.558692 0.777850
C 2.862997 1.952536 0.664528
C -2.863356 1.951877 -0.664546
C 3.250501 -0.467405 0.560852
C -3.250207 -0.468177 -0.561067
C 3.590304 0.808118 1.063038
C -3.590348 0.807293 -1.063157
H 0.633481 0.441173 -1.501087
H -0.633436 0.440940 1.500953
H 3.114881 2.940543 1.061837
H -3.115499 2.939847 -1.061784
H 3.788986 -1.370811 0.859186
H -3.788443 -1.371705 -0.859480
H 4.419089 0.909443 1.770510
H -4.419152 0.908451 -1.770631


