%chk=000017427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017427

0 1
 S   -3.117200     -0.3085000     -0.3730000    
 S  -0.1699000     -0.7819000     -0.6483000    
 P    1.574200     -0.5048000      0.4882000    
 O    2.854500     -0.9293000     -0.4196000    
 O    1.845300       1.082000      0.7134000    
 O   -3.443400      -1.716000     -0.4985000    
 O   -3.146500      0.5739000      -1.523400    
 O    1.503500      -1.275800       1.780500    
 C   -1.513900     -0.1720000      0.3960000    
 C   -4.199200      0.3811000      0.8546000    
 C   -5.640400      0.3630000      0.3968000    
 C    4.155900     -0.7625000      0.1165000    
 C    1.935200       1.927500     -0.4199000    
 C    5.173000      -1.223200     -0.9057000    
 C    2.188900       3.346500      4.2399999E-02
 H   -1.542000     -0.7457000       1.325900    
 H   -1.344000      0.8837000      0.6231000    
 H   -4.081000     -0.2081000       1.768700    
 H   -3.871800       1.407400       1.045500    
 H   -6.289400      0.7916000       1.166600    
 H   -5.771900      0.9444000     -0.5214000    
 H   -5.979600     -0.6583000      0.1960000    
 H    4.326200      0.2889000      0.3653000    
 H    4.245700      -1.357500       1.030800    
 H    2.748700       1.597000      -1.072000    
 H   0.9986000       1.894300     -0.9831000    
 H    6.190800      -1.113300     -0.5213000    
 H    5.006200      -2.272700      -1.170000    
 H    5.079700     -0.6434000      -1.829900    
 H    2.260100       4.028600     -0.8095000    
 H    1.383700       3.687200      0.7017000    
 H    3.118100       3.403300      0.6190000    


%chk=000017427-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017427

0 1
S -2.641464 -0.275152 -0.818991
S 0.205911 -1.325859 -1.854293
P 1.096287 -0.183372 -0.035716
O 2.608558 -0.997759 0.025282
O 1.645654 1.367334 -0.521354
O -3.989660 -0.657451 -1.664747
O -1.823630 1.111010 -1.140350
O 0.144204 -0.277542 1.243857
C -1.333778 -1.813077 -0.998891
C -3.088153 -0.232598 1.074670
C -4.077472 0.904518 1.309573
C 3.727575 -0.425461 0.851420
C 0.715101 2.548107 -0.620396
C 4.875009 -1.421105 0.726772
C 1.594860 3.719227 -1.038769
H -1.893191 -2.534012 -1.612490
H -1.164300 -2.135438 0.039064
H -3.510812 -1.232718 1.267932
H -2.100435 -0.101764 1.546945
H -4.343077 0.934414 2.382667
H -3.635517 1.877997 1.037035
H -5.004519 0.759321 0.728403
H 3.986182 0.567574 0.443407
H 3.383486 -0.320566 1.897857
H -0.071835 2.307105 -1.353619
H 0.245591 2.702218 0.367803
H 5.746197 -1.059111 1.303970
H 4.580639 -2.409703 1.116767
H 5.176520 -1.534881 -0.327931
H 0.968985 4.625644 -1.137682
H 2.381037 3.918672 -0.290304
H 2.074148 3.521828 -2.012492


