%chk=000005125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005125

0 1
 S    2.195300     -0.7397000     -0.4086000    
 S   -1.038000      -1.849500     -0.1513000    
 S  -0.2055000       1.290300       1.016600    
 P   0.4565000     -0.6937000      0.7775000    
 O   0.7657000      -1.280100       2.132200    
 C    4.761100      0.3265000     -0.2542000    
 C   -3.666200      -2.566500      0.4163000    
 C   -1.048400       3.361500     -0.6391000    
 C    3.418800      0.2498000      0.4729000    
 C   -2.470700      -1.772000      0.9417000    
 C  -0.5521000       1.915800     -0.6388000    
 C    5.444500      -1.032400     -0.4292000    
 C   -4.200200      -2.058900     -0.9258000    
 C   -2.367900       3.559200      0.1119000    
 C    6.817800     -0.8826000      -1.066100    
 C   -5.447800      -2.820300      -1.347900    
 C   -2.862900       4.992500     -8.1000002E-03
 H    5.422000      0.9866000      0.3218000    
 H    4.626800      0.8021000      -1.234200    
 H   -4.467400      -2.508300       1.164000    
 H   -3.399400      -3.627600      0.3311000    
 H   -1.181500       3.674500      -1.682500    
 H  -0.2789000       4.019200     -0.2150000    
 H    3.557800     -0.1756000       1.472200    
 H    3.021500       1.261800      0.5989000    
 H   -2.754600     -0.7235000       1.077300    
 H   -2.177300      -2.162300       1.921600    
 H   -1.297400       1.268300      -1.111400    
 H   0.3645000       1.850700      -1.233400    
 H    5.553200      -1.521500      0.5459000    
 H    4.843600      -1.694400      -1.061300    
 H   -4.439700     -0.9918000     -0.8505000    
 H   -3.447800      -2.169500      -1.713600    
 H   -3.129600       2.881800     -0.2916000    
 H   -2.252300       3.323900       1.174900    
 H    6.742600     -0.4220000      -2.056300    
 H    7.290700      -1.862900      -1.182200    
 H    7.472500     -0.2616000     -0.4465000    
 H   -5.236000      -3.888400      -1.460500    
 H   -5.815100      -2.443500      -2.307600    
 H   -6.247600      -2.703800     -0.6096000    
 H   -2.136200       5.694800      0.4127000    
 H   -3.806300       5.114300      0.5334000    
 H   -3.035800       5.262100      -1.054900    


%chk=000005125-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005125

0 1
S 0.968250 -0.954167 -0.233911
S -2.516354 -0.533473 -0.444115
S -0.457126 1.997717 1.395137
P -0.795464 -0.264806 1.074204
O -1.044962 -1.012308 2.467995
C 3.590856 0.102227 0.029408
C -3.475150 -3.087779 0.474171
C -0.053638 3.978998 -0.583665
C 2.411072 -0.377729 0.889118
C -3.628990 -1.579911 0.712709
C -0.511987 2.516827 -0.443796
C 4.205666 -0.993496 -0.871214
C -3.923305 -3.557458 -0.926743
C -0.969283 5.007176 0.119868
C 5.409345 -0.479127 -1.688226
C -3.764834 -5.081057 -1.116528
C -0.509109 6.460605 -0.118877
H 4.371828 0.483492 0.720763
H 3.269386 0.961979 -0.591371
H -4.086039 -3.605766 1.244569
H -2.424613 -3.383566 0.658273
H -0.022273 4.205817 -1.669970
H 0.984472 4.083354 -0.210182
H 2.679822 -1.234217 1.527873
H 2.014165 0.443820 1.512865
H -4.650524 -1.219435 0.498800
H -3.349603 -1.304856 1.745115
H -1.550282 2.378187 -0.789837
H 0.158408 1.830349 -0.990273
H 4.518493 -1.849871 -0.240122
H 3.427827 -1.381201 -1.560219
H -4.982480 -3.268725 -1.087540
H -3.328796 -3.021894 -1.693539
H -2.008165 4.876807 -0.244669
H -0.993744 4.796598 1.207460
H 5.111676 0.354328 -2.352030
H 5.836251 -1.278129 -2.321056
H 6.213341 -0.109223 -1.023934
H -2.708812 -5.386288 -0.992506
H -4.092278 -5.398242 -2.123466
H -4.365012 -5.640430 -0.373908
H 0.515914 6.621352 0.265243
H -1.175600 7.181034 0.388830
H -0.506050 6.705788 -1.198004


