%chk=000178610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178610

0 1
 S   0.2748000      -2.176500      0.2866000    
 P  -5.1600002E-02 -0.5563000     -0.9970000    
 O    3.421300       1.987800      0.1859000    
 O   -4.007100       1.350600      2.4300000E-02
 O  -0.6942000      -3.175800     -0.1190000    
 O   0.2887000      -1.647900       1.636400    
 N    1.236500      0.4500000     -0.5221000    
 N   -1.448300      0.1137000     -0.2687000    
 C    1.502200      0.5799000      0.9080000    
 C    2.477700      0.3273000      -1.299500    
 C   -2.698300     -0.6099000     -0.5510000    
 C   -1.643400       1.556400     -0.4841000    
 C    2.396300       1.798600       1.163200    
 C    3.715600      0.7968000     -0.5314000    
 C   -3.843200     -4.2199999E-02  0.2848000    
 C   -2.816500       2.065600      0.3503000    
 C    1.889400      -2.818300     -6.6500001E-02
 H    2.059300     -0.2738000       1.305200    
 H   0.5995000      0.7324000       1.511400    
 H    2.365900      0.9632000      -2.187600    
 H    2.668800     -0.6880000      -1.665500    
 H   -2.626300      -1.675100     -0.3154000    
 H   -2.952300     -0.5207000      -1.616400    
 H   -1.843500       1.755000      -1.546100    
 H  -0.7630000       2.142000     -0.1963000    
 H    1.793700       2.713800       1.167900    
 H    2.872000       1.718200       2.146800    
 H    4.082300      3.1599998E-02  0.1634000    
 H    4.527700       1.014700      -1.232700    
 H   -4.780600     -0.5421000      2.0099999E-02
 H   -3.675900     -0.1987000       1.357600    
 H   -2.616100       1.976000       1.425100    
 H   -2.994900       3.123900      0.1344000    
 H    2.663200      -2.118400      0.2418000    
 H    2.005500      -3.744400      0.5025000    
 H    1.960600      -3.042100      -1.132500    


%chk=000178610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178610

0 1
S -0.188678 -2.330280 0.510828
P 0.203583 -0.319842 -1.605075
O 3.208968 2.649094 -0.022673
O -3.618313 0.726386 0.602312
O -1.576141 -3.195289 0.191931
O -0.286257 -1.297996 1.839574
N 1.492975 0.572525 -0.827058
N -1.266723 0.419940 -1.038935
C 1.726803 0.724221 0.633961
C 2.677337 0.896854 -1.689249
C -2.559044 -0.215522 -1.435057
C -1.449075 1.599791 -0.162474
C 2.214268 2.148054 0.961087
C 3.775583 1.569786 -0.835007
C -3.435005 -0.501316 -0.189950
C -2.311623 1.223014 1.065634
C 1.046382 -3.680591 1.127224
H 2.492332 -0.015212 0.950505
H 0.820806 0.441361 1.202846
H 2.360579 1.597015 -2.483086
H 3.093793 -0.013201 -2.174400
H -2.364586 -1.162264 -1.970619
H -3.087392 0.488575 -2.108820
H -1.989725 2.369054 -0.751693
H -0.468588 2.006853 0.126090
H 1.387970 2.881549 0.935659
H 2.667646 2.159041 1.972956
H 4.307399 0.827023 -0.204570
H 4.513344 2.051868 -1.496641
H -4.445868 -0.803429 -0.509645
H -2.977312 -1.308207 0.412302
H -1.792153 0.449236 1.666150
H -2.529821 2.117266 1.672422
H 1.986855 -3.178399 1.395392
H 0.548925 -4.116339 2.005381
H 1.166554 -4.413320 0.316599


