%chk=000095237.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095237

0 1
 S    2.749900       1.654300      0.2133000    
 S   -2.770400       1.681000     -0.1872000    
 O    2.462600       1.918000       1.617500    
 O    3.232900       2.738500     -0.6314000    
 O   -2.553100       1.988000      -1.588100    
 O   -3.248700       2.707600      0.7190000    
 N    1.357700      0.9772000     -0.5111000    
 N   -1.352900      0.9681000      0.4530000    
 C   0.7444000     -0.2275000      6.6200003E-02
 C  -0.7560000     -0.1979000     -0.1858000    
 C    3.901400      0.3458000      0.1114000    
 C   -3.915500      0.3376000     -9.4700001E-02
 C    4.725900      0.2276000      -1.007500    
 C   -4.677200      0.1762000       1.049800    
 C    3.997100     -0.5810000       1.149300    
 C   -4.029500     -0.5279000      -1.168700    
 C    5.741600      -1.744500     -5.0700001E-02
 C   -5.709000      -1.765800      4.9500000E-02
 C    5.645900     -0.8176000      -1.088600    
 C   -5.580900     -0.8839000       1.122500    
 C    4.917300      -1.626300       1.068300    
 C   -4.933400      -1.587800      -1.096100    
 C    6.726200      -2.861300     -0.1365000    
 C   -6.676100      -2.898400      0.1264000    
 H    1.181200      -1.113200     -0.4059000    
 H   0.9312000     -0.2760000       1.143900    
 H  -0.9409000     -0.1805000      -1.265100    
 H   -1.208900      -1.104700      0.2279000    
 H    1.223600       1.110700      -1.521200    
 H   -1.183200       1.065400       1.461900    
 H    4.664100      0.9338000      -1.830800    
 H   -4.586800      0.8473000       1.898300    
 H    3.364100     -0.5099000       2.029300    
 H   -3.432900     -0.4085000      -2.067700    
 H    6.283100     -0.8990000      -1.965300    
 H   -6.179900      -1.012000       2.020300    
 H    4.983500      -2.341300       1.884100    
 H   -5.025100      -2.267600      -1.939100    
 H    6.364300      -3.748800      0.3936000    
 H    6.897800      -3.157800      -1.176900    
 H    7.680700      -2.555100      0.3029000    
 H   -7.651500      -2.586300     -0.2599000    
 H   -6.326100      -3.757100     -0.4565000    
 H   -6.801100      -3.242000       1.158900    


%chk=000095237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095237

0 1
S 2.033568 0.761120 0.018310
S -2.022344 0.770316 0.100218
O 1.540068 0.576841 1.588514
O 1.983338 2.200469 -0.724904
O -1.519830 0.724756 -1.477159
O -1.977678 2.138714 0.967259
N 1.103768 -0.421152 -1.066820
N -1.100413 -0.504195 1.084822
C 0.710656 -1.667435 -0.362589
C -0.713492 -1.689476 0.278405
C 3.782561 0.075615 -0.032939
C -3.770066 0.080280 0.077420
C 4.525875 0.246785 -1.213291
C -4.522867 0.141176 1.262849
C 4.292844 -0.536430 1.120965
C -4.270594 -0.423225 -1.131785
C 6.414922 -0.878289 -0.091273
C -6.400395 -0.879981 0.027782
C 5.848743 -0.241552 -1.230390
C -5.844469 -0.348671 1.224816
C 5.621995 -1.016550 1.076953
C -5.598940 -0.907809 -1.142218
C 7.848993 -1.373680 -0.123532
C -7.831090 -1.385577 0.006660
H 0.771493 -2.489109 -1.102506
H 1.466293 -1.884453 0.415562
H -1.469852 -1.835351 -0.515414
H -0.780744 -2.569935 0.946688
H 0.286817 0.122868 -1.453163
H -0.281040 0.000331 1.516386
H 4.088714 0.747913 -2.082352
H -4.093613 0.561825 2.177344
H 3.675745 -0.609929 2.022269
H -3.647107 -0.411104 -2.031648
H 6.451290 -0.124732 -2.138648
H -6.454469 -0.315552 2.135048
H 6.047213 -1.497909 1.964844
H -6.016681 -1.304951 -2.074204
H 8.071308 -2.034030 0.731568
H 8.062301 -1.932254 -1.052628
H 8.559218 -0.525771 -0.083766
H -8.546330 -0.553741 0.150380
H -8.075660 -1.875985 -0.950413
H -8.012653 -2.112779 0.819081


