%chk=000013963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013963

0 1
 S    2.519700       2.215900     -0.5071000    
 S    2.559200      -2.275100      0.4688000    
 O   -2.897200      -1.357800     -0.6709000    
 O    1.840700       1.207600      0.5988000    
 O    1.867200      -1.277600     -0.6400000    
 O   -5.183100      -1.416200     -0.6958000    
 O    3.940000       2.644400      0.1741000    
 O    3.990000      -2.676900     -0.2064000    
 O    2.812400       1.465700      -1.714500    
 O    1.695800       3.408800     -0.5775000    
 O    2.832800      -1.520000       1.677800    
 O    1.757200      -3.482900      0.5353000    
 C   -1.762100      0.5794000      0.2915000    
 C   -1.715700     -0.6691000     -0.3305000    
 C   -3.074400       1.169600      0.5879000    
 C  -0.5429000       1.198600      0.5979000    
 C   0.6725000      0.5782000      0.2870000    
 C   0.6880000     -0.6693000     -0.3345000    
 C  -0.5114000      -1.300400     -0.6469000    
 C   -4.181500      0.4921000      0.2526000    
 C   -3.158400       2.510900       1.256000    
 C   -4.149000     -0.8259000     -0.4035000    
 H  -0.5174000       2.170400       1.085200    
 H  -0.5122000      -2.272000      -1.133100    
 H   -5.167700      0.8981000      0.4567000    
 H   -2.677700       3.281300      0.6436000    
 H   -2.676400       2.486700       2.239200    
 H   -4.196400       2.824900       1.413100    
 H    3.888400       2.913100       1.121300    
 H    3.947600      -2.945700      -1.154100    


%chk=000013963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013963

0 1
S 2.408410 2.391822 -1.078747
S 2.883275 -2.819142 0.534051
O -3.190283 -1.315654 -0.503599
O 2.004744 0.380420 0.388304
O 1.476477 -2.129757 -0.885326
O -5.479746 -0.983671 -0.445438
O 3.134176 3.106517 0.478054
O 3.887283 -1.377175 0.485000
O 3.357285 2.950698 -2.266916
O 0.815566 2.803427 -1.129810
O 2.066923 -2.954215 1.916969
O 3.670989 -4.040346 -0.125310
C -1.668575 0.448893 0.296926
C -1.913818 -0.863079 -0.270997
C -2.809029 1.324622 0.571473
C -0.339763 0.824873 0.539839
C 0.760867 -0.031289 0.195129
C 0.474514 -1.354542 -0.418181
C -0.865288 -1.751831 -0.597422
C -4.084911 0.858431 0.318295
C -2.574290 2.716969 1.102526
C -4.382350 -0.467179 -0.205890
H -0.104398 1.794192 0.980966
H -1.092520 -2.733561 -1.020429
H -4.961571 1.485209 0.502780
H -1.910383 3.288524 0.427032
H -2.083839 2.688634 2.093971
H -3.521030 3.268807 1.207920
H 2.929714 2.419410 1.180732
H 3.199570 -0.573210 0.400097


