%chk=000021054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021054

0 1
 S    5.978700      -1.008200     -3.4699999E-02
 O    3.647300      0.7897000      0.9202000    
 O    2.532300       2.680900      0.2680000    
 O   -2.898300     -0.5210000      0.2725000    
 O   -6.358500     -0.5656000     -0.2309000    
 O   -5.032200      -1.897300      0.9032000    
 N    1.553100      0.5635000      0.2036000    
 N   0.3391000      0.9217000     -0.2342000    
 N   -5.198200     -0.8799000      0.1674000    
 C    3.399100     -0.6307000      0.8167000    
 C    1.899100     -0.7536000      0.6156000    
 C    4.203500      -1.180300     -0.3526000    
 C    2.556000       1.469800      0.4344000    
 C  -0.6092000      0.1378000      0.1669000    
 C   -1.997800      0.3581000     -0.2021000    
 C    6.596100      -1.735100      -1.570500    
 C   -2.563400       1.325100     -0.9652000    
 C   -4.099600     -0.1033000     -0.2056000    
 C   -3.947200       1.028400     -0.9726000    
 H    3.695500      -1.113700       1.755500    
 H    1.613800      -1.511900     -0.1196000    
 H    1.435700     -0.9659000       1.585600    
 H    3.970700     -0.6315000      -1.271500    
 H    3.971400      -2.239400     -0.5046000    
 H  -0.4703000     -0.7375000      0.8236000    
 H    7.689200      -1.719900      -1.562100    
 H    6.247700      -1.159400      -2.431900    
 H    6.264200      -2.772600      -1.661700    
 H   -2.067600       2.146600      -1.462200    
 H   -4.731100       1.576100      -1.476600    


%chk=000021054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021054

0 1
S 6.284963 -0.738202 -0.168634
O 3.668584 1.127032 0.089780
O 2.200337 2.948739 -0.046669
O -3.085983 -0.706307 -0.073034
O -6.658586 -0.442945 -0.196624
O -5.287715 -2.293304 -0.140910
N 1.430688 0.682679 0.093402
N 0.107525 1.001834 0.036101
N -5.491600 -1.015611 -0.154302
C 3.539767 -0.350707 0.324977
C 2.034693 -0.666898 0.088934
C 4.481299 -1.102321 -0.609674
C 2.397987 1.735694 0.040562
C -0.787592 0.026150 0.003568
C -2.184784 0.380670 -0.047143
C 7.062380 -2.259621 -0.961403
C -2.899642 1.588839 -0.078056
C -4.362821 -0.135426 -0.120455
C -4.288711 1.257161 -0.125208
H 3.821654 -0.518992 1.379670
H 1.856297 -1.170912 -0.882332
H 1.621230 -1.295906 0.897940
H 4.289732 -0.821290 -1.659803
H 4.316538 -2.188855 -0.481689
H -0.558030 -1.051488 0.012860
H 8.145053 -2.181292 -0.777369
H 6.878256 -2.267459 -2.047293
H 6.676854 -3.181621 -0.496603
H -2.449871 2.578601 -0.067732
H -5.139402 1.932661 -0.158261


