%chk=000102506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102506

0 1
 S   0.2833000       1.365900      0.9620000    
 S    3.738400       1.894300       1.017900    
 P    2.245500      0.8078000      0.3554000    
 O    2.220900      0.6560000      -1.271100    
 O    2.378000     -0.7664000      0.7791000    
 O   -2.844800      0.1145000       1.397400    
 O   -1.361700      -2.078600      -1.555800    
 N  -0.6185000      -1.102800      0.4207000    
 N   -2.835700       1.566800     -0.4102000    
 C  -0.8423000      0.2792000      4.9500000E-02
 C   -2.266300      0.6328000      0.4435000    
 C  -0.9002000      -2.165200     -0.4209000    
 C   -4.195100       2.023300     -0.2469000    
 C  -0.6023000      -3.493600      0.2193000    
 C    2.112600       1.805100      -2.094200    
 C    3.488200      -1.539400      0.3544000    
 H  -0.6950000      0.3959000      -1.028900    
 H  -0.2620000      -1.286400       1.353800    
 H   -2.278800       1.975200      -1.155000    
 H   -4.840100       1.191000      4.6900000E-02
 H   -4.212100       2.791000      0.5309000    
 H   -4.537100       2.446900      -1.193900    
 H   -1.358200      -3.709300      0.9793000    
 H  -0.6192000      -4.280100     -0.5401000    
 H   0.3879000      -3.478100      0.6838000    
 H    3.089500       2.286300      -2.185700    
 H    1.779500       1.491500      -3.086600    
 H    1.386400       2.511900      -1.685400    
 H    3.260000      -2.594700      0.5241000    
 H    3.682700      -1.388900     -0.7102000    
 H    4.372800      -1.273000      0.9377000    


%chk=000102506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102506

0 1
S -0.170046 1.480506 -1.516051
S 2.879110 2.561783 0.276452
P 1.701786 0.965006 -0.279516
O 2.424597 -0.332880 -1.181490
O 1.076022 -0.084780 0.953299
O -2.076829 -0.642813 1.399355
O -1.432147 -1.719840 -3.083644
N -0.708900 -1.280389 -0.919633
N -2.176046 1.614238 0.815696
C -1.336971 -0.012037 -0.853122
C -1.876574 0.294971 0.567959
C -0.770525 -2.077395 -2.065846
C -2.809782 2.053262 2.064353
C 0.006500 -3.380954 -1.964334
C 2.964092 -0.007830 -2.522396
C 1.150893 0.288158 2.384847
H -2.129675 0.042725 -1.623297
H -0.144856 -1.556095 -0.108796
H -1.856382 2.310897 0.135602
H -3.051614 1.156021 2.655950
H -2.133621 2.700447 2.653388
H -3.741486 2.609112 1.855319
H -0.476947 -4.063896 -1.241661
H 0.026880 -3.866851 -2.950315
H 1.040328 -3.196264 -1.619867
H 3.743860 0.772335 -2.453384
H 3.403269 -0.951346 -2.877806
H 2.151566 0.314473 -3.198894
H 0.182208 -0.014404 2.812143
H 1.980439 -0.271162 2.847402
H 1.317151 1.373902 2.509086


