%chk=000051673.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051673

0 1
 S    1.704700      -2.065300     -0.7874000    
 S   -1.206500      -2.704800     -0.9592000    
 P    3.042200      -1.029500      0.4531000    
 O    2.745600      0.5655000      0.4470000    
 O    3.014700      -1.594000       1.849000    
 O   -4.181500     -0.6783000      0.6783000    
 O   -2.648100     -0.1036000     -0.9429000    
 C    1.969500       2.597000     -0.5459000    
 C   0.5211000       2.332500     -0.1407000    
 C    2.738200       1.301300     -0.7629000    
 C  -0.2548000       3.637600      3.3900000E-02
 C   -1.706300       3.377400      0.4045000    
 C    4.685100      -1.159100     -0.2531000    
 C   8.7499999E-02  -1.877900      3.1000001E-03
 C   -2.620600      -2.311100      9.6699998E-02
 C   -3.113800     -0.9070000     -0.1467000    
 C   -4.776800      0.6192000      0.5731000    
 H    2.457300       3.179600      0.2451000    
 H    2.000800       3.193600      -1.464700    
 H   3.3500001E-02   1.717200     -0.9069000    
 H   0.4872000       1.765000      0.7971000    
 H    2.281300      0.7189000      -1.567900    
 H    3.771900       1.526600      -1.042600    
 H   0.2133000       4.246500      0.8160000    
 H  -0.2210000       4.219400     -0.8945000    
 H   -2.214300       2.808900     -0.3807000    
 H   -1.777800       2.813000       1.339700    
 H   -2.239700       4.323900      0.5368000    
 H    5.013500      -2.202300     -0.2558000    
 H    5.397600     -0.5754000      0.3364000    
 H    4.704100     -0.7929000      -1.283100    
 H  -0.1334000     -0.8114000      9.0700001E-02
 H   0.1370000      -2.315100       1.004000    
 H   -3.428100      -3.005100     -0.1555000    
 H   -2.352800      -2.438700       1.149400    
 H   -5.669300      0.6353000       1.204300    
 H   -5.075400      0.8234000     -0.4597000    
 H   -4.078800       1.380200      0.9327000    


%chk=000051673-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051673

0 1
S 1.260330 -1.195884 -2.660101
S -0.970788 -3.074861 -1.391669
P 1.575590 -0.473375 -0.474395
O 2.766125 0.772125 -0.624956
O 0.181689 -0.067857 0.209082
O -4.422398 -2.561891 0.066518
O -3.648419 -1.063624 -1.541118
C 2.610768 3.220257 -0.309361
C 1.524728 3.288821 0.785780
C 2.432786 2.065015 -1.299272
C 1.774100 4.430249 1.797506
C 0.677573 4.517870 2.880607
C 2.591920 -1.759143 0.389052
C -0.583635 -1.575551 -2.474979
C -2.051468 -2.238579 -0.069929
C -3.415220 -1.874279 -0.612905
C -5.808465 -2.270350 -0.378128
H 3.614181 3.134397 0.152479
H 2.612688 4.164238 -0.894384
H 0.530641 3.425671 0.312632
H 1.475063 2.321589 1.322570
H 1.398522 2.029375 -1.694195
H 3.140588 2.139209 -2.143330
H 2.761966 4.280264 2.279760
H 1.837036 5.396222 1.254744
H -0.313954 4.701246 2.425624
H 0.610949 3.573613 3.452932
H 0.878631 5.335962 3.596656
H 2.003247 -2.688582 0.422196
H 2.824552 -1.409386 1.407105
H 3.519138 -1.921600 -0.179539
H -0.936454 -1.772604 -3.497372
H -1.106965 -0.706302 -2.053309
H -2.131864 -2.963754 0.752286
H -1.497787 -1.338176 0.254754
H -6.445957 -2.886712 0.270640
H -5.931661 -2.545953 -1.438827
H -6.030676 -1.197158 -0.254454


