%chk=000005351.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005351

0 1
 S  -1.3000000E-03   2.746400      8.9999998E-04
 S    6.865300      -2.247000     -0.1119000    
 S   -6.872100      -2.241300      0.1114000    
 O  -0.1727000       3.477800      -1.246500    
 O   0.2114000       3.476200       1.244200    
 O    7.287700      -2.771800       1.348900    
 O   -7.295000      -2.765000      -1.349700    
 O    6.214300      -3.391000     -0.8315000    
 O   -6.222100      -3.386200      0.8303000    
 N    4.787100     -0.7313000     -0.5794000    
 N   -4.792700     -0.7276000      0.5796000    
 C    1.426400       1.710000     -0.1719000    
 C   -1.408400       1.726800      0.1707000    
 C    2.111600       1.317500      0.9619000    
 C   -2.115400       1.319800     -0.9607000    
 C    1.821600       1.318400      -1.436600    
 C   -1.825500       1.319300       1.437900    
 C    3.651700      9.3999997E-02 -0.4415000    
 C   -3.656600      9.6799999E-02  0.4421000    
 C    3.235000      0.5016000      0.8259000    
 C   -3.239500      0.5048000     -0.8250000    
 C    2.945000      0.5029000      -1.572700    
 C   -2.949600      0.5045000       1.573500    
 C    5.549100      -1.180200      0.5480000    
 C   -5.555100      -1.175300     -0.5480000    
 H    1.798300       1.615800       1.957600    
 H   -1.805200       1.617900      -1.958200    
 H    1.279900       1.620300      -2.327400    
 H   -1.286100       1.619600       2.331800    
 H    3.755200      0.2062000       1.732200    
 H   -3.760200      0.2107000      -1.731400    
 H    3.258400      0.1910000      -2.565800    
 H   -3.263400      0.1925000       2.566400    
 H    5.055500     -0.9909000      -1.522500    
 H   -5.061400     -0.9875000       1.522600    
 H    6.025500     -0.3510000       1.080000    
 H    4.940200      -1.779200       1.233100    
 H   -6.030900     -0.3454000      -1.079600    
 H   -4.946700      -1.774400      -1.233400    
 H    7.558400      -3.718900       1.308300    
 H   -7.566600      -3.712000      -1.309600    


%chk=000005351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005351

0 1
S 0.000356 2.248528 0.000295
S 7.546291 -0.201186 -0.254091
S -7.549091 -0.191828 0.254216
O 0.028702 3.020809 -1.444988
O -0.026889 3.020502 1.445779
O 8.638926 -1.632034 0.294768
O -8.643008 -1.621589 -0.294902
O 6.789779 -0.628066 -1.662117
O -6.792958 -0.619678 1.662156
N 4.942580 -1.320094 0.106562
N -4.946471 -1.313383 -0.106481
C 1.511291 1.113707 0.037053
C -1.511990 1.115962 -0.036661
C 2.062315 0.785347 1.285698
C -2.063448 0.788386 -1.285329
C 2.072766 0.700262 -1.182829
C -2.074115 0.703175 1.183143
C 3.802203 -0.474117 0.101948
C -3.805041 -0.468846 -0.101741
C 3.213395 -0.027061 1.316907
C -3.215572 -0.022501 -1.316646
C 3.229637 -0.100803 -1.146239
C -3.232059 -0.096309 1.146482
C 5.995895 -1.203916 0.999516
C -5.999565 -1.195895 -0.999529
H 1.607707 1.170044 2.204667
H -1.608324 1.172542 -2.204272
H 1.641022 1.035164 -2.131572
H -1.641923 1.037452 2.131908
H 3.632870 -0.330868 2.281204
H -3.635391 -0.325716 -2.280979
H 3.716592 -0.409696 -2.077422
H -3.719458 -0.404583 2.077636
H 5.254744 -1.640428 -0.832727
H -5.259100 -1.633396 0.832787
H 5.838039 -0.571188 1.878598
H 6.628824 -2.089312 1.141929
H -5.840955 -0.563139 -1.878459
H -6.633463 -2.080560 -1.142168
H 9.496867 -1.570991 -0.211305
H -9.500883 -1.559900 0.211205


