%chk=000051509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051509

0 1
 S   0.9450000      -2.601600     -0.5137000    
 O    1.493500      -3.535200      0.4577000    
 O  -0.4944000      -2.413800     -0.6091000    
 O    1.644400       3.671100     -0.5881000    
 O  -7.1199998E-02   2.543200      -1.365200    
 O    5.332200     -0.9421000       1.554500    
 O    5.495300       1.323900       1.482100    
 N    1.051600       2.588900     -0.8096000    
 N    1.554100      -2.990100      -2.061200    
 C  -0.2854000      8.8799998E-02  -1.305700    
 C   -1.501500      0.1473000     -0.3606000    
 C    1.056600      0.1414000     -0.6429000    
 C   -2.864900      5.5500001E-02  -1.063800    
 C    1.688400      -1.038500     -0.2506000    
 C    1.674400       1.371600     -0.4176000    
 C    2.938000     -0.9884000      0.3672000    
 C   -4.065800      8.0499999E-02 -0.1519000    
 C    2.924000       1.421700      0.2002000    
 C    3.555700      0.2417000      0.5927000    
 C   -4.570100      -1.112700      0.3430000    
 C   -4.646200       1.296300      0.1766000    
 C    4.859200      0.2939000       1.235600    
 C   -5.681200      -1.089500       1.186100    
 C   -5.757000       1.319500       1.019800    
 C   -6.274500      0.1265000       1.524500    
 H  -0.3519000     -0.8023000      -1.937500    
 H  -0.3947000      0.7591000      -2.162300    
 H   -1.441700     -0.6068000      0.4314000    
 H   -1.474700       1.097600      0.1895000    
 H   -2.950600      0.8743000      -1.790800    
 H   -2.897000     -0.8631000      -1.664700    
 H    3.420400      -1.917200      0.6577000    
 H    3.422100       2.370800      0.3845000    
 H   -4.113200      -2.064500      8.7200001E-02
 H   -4.248900       2.230700     -0.2097000    
 H    2.256300      -3.737400      -2.123800    
 H   0.8978000      -2.969200      -2.851300    
 H   -6.083800      -2.018300       1.579700    
 H   -6.218800       2.266300       1.283900    
 H   -7.139300      0.1445000       2.181300    
 H    6.211000     -0.8958000       1.988000    


%chk=000051509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051509

0 1
S 0.892515 -2.696102 -0.565767
O 1.891526 -3.747256 0.173027
O -0.708027 -2.756212 -0.298066
O 2.230130 3.635793 -1.149616
O 0.051325 2.990868 -1.001934
O 5.223382 -1.043676 1.881654
O 5.452236 1.270517 1.779476
N 1.315467 2.761369 -0.898651
N 1.052291 -2.819654 -2.393984
C -0.308318 0.204171 -1.451115
C -1.509993 0.293048 -0.458560
C 1.020103 0.230233 -0.727488
C -2.854095 0.068558 -1.201234
C 1.647887 -0.954347 -0.253187
C 1.772584 1.414528 -0.442380
C 2.844588 -1.013084 0.468621
C -4.029604 0.050917 -0.235827
C 2.994573 1.410100 0.258217
C 3.528118 0.197177 0.736010
C -4.280362 -1.098023 0.560861
C -4.872310 1.180748 -0.080963
C 4.808014 0.234207 1.500515
C -5.348088 -1.117046 1.484913
C -5.941296 1.166282 0.844592
C -6.183098 0.016276 1.630712
H -0.389710 -0.734151 -2.026599
H -0.380904 1.044226 -2.161535
H -1.403797 -0.484340 0.317653
H -1.511631 1.281032 0.033768
H -2.990776 0.861930 -1.961485
H -2.793170 -0.899184 -1.737388
H 3.240539 -1.973147 0.815703
H 3.531500 2.347047 0.432780
H -3.633430 -1.978087 0.451438
H -4.690441 2.075292 -0.689922
H 1.991518 -3.177187 -2.637000
H 0.288539 -3.429297 -2.733352
H -5.530916 -2.013096 2.089165
H -6.584622 2.047476 0.949730
H -7.012703 0.001701 2.346657
H 6.073656 -0.981009 2.393663


