%chk=000029330.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029330

0 1
 Cl  0.2115000       4.344200     -0.2083000    
 S   -3.470800      0.7589000      -1.351400    
 S    1.691200     -0.5608000      -1.422700    
 S   -5.325800      -1.531200      0.5683000    
 S    1.352200     -0.7374000       2.072900    
 P   -3.568100     -0.7674000      0.1383000    
 P    2.548100     -0.5078000      0.5318000    
 O   -2.803900     -0.1973000       1.467100    
 O   -2.482400      -1.918100     -0.2756000    
 O    3.430700      0.8650000      0.6380000    
 O    3.784600      -1.578100      0.5485000    
 N  -0.8528000      0.2426000      -1.350700    
 N   0.8137000       1.887900     -0.8275000    
 N   -1.510900       2.482400     -0.7963000    
 C   -3.370400      0.8617000       2.221200    
 C   -2.699700      -2.730900      -1.417400    
 C    4.386300       1.182200     -0.3607000    
 C    3.527800      -2.970800      0.4739000    
 C   -1.760800       1.210100      -1.145000    
 C   0.4123000      0.6549000      -1.173900    
 C   -2.457100       1.181600       3.385300    
 C   -1.545800      -3.700400      -1.559500    
 C    5.048500       2.497400     -9.6000005E-03
 C    4.844100      -3.717500      0.5090000    
 C  -0.2024000       2.749000     -0.6556000    
 H   -3.491000       1.743900       1.586300    
 H   -4.352300      0.5638000       2.599300    
 H   -3.633600      -3.288300      -1.304800    
 H   -2.770700      -2.100700      -2.308500    
 H    5.137700      0.3891000     -0.4168000    
 H    3.897200       1.276500      -1.333300    
 H    2.908500      -3.281100       1.320000    
 H    2.994700      -3.195600     -0.4544000    
 H   -1.469000       1.486600       3.025400    
 H   -2.309000      0.2981000       4.014800    
 H   -2.872000       1.987100       3.997600    
 H   -1.456700      -4.327400     -0.6662000    
 H  -0.5992000      -3.160700      -1.664400    
 H   -1.682400      -4.345600      -2.431800    
 H    5.538300       2.433500      0.9677000    
 H    4.303500       3.297200      5.9500001E-02
 H    5.793800       2.773000     -0.7608000    
 H    5.392000      -3.490200       1.429500    
 H    5.483300      -3.410900     -0.3256000    
 H    4.682600      -4.797600      0.4518000    


%chk=000029330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029330

0 1
Cl 0.824236 4.537600 0.758233
S -3.326725 1.574669 -0.963041
S 1.587353 -0.703631 -0.393883
S -5.992552 -0.821129 -0.773436
S 3.130361 0.726571 2.824141
P -4.028717 -0.575950 -0.198411
P 3.445055 0.054283 0.919012
O -3.626495 -0.547254 1.476593
O -2.854151 -1.751951 -0.616761
O 4.360434 1.083102 -0.098027
O 4.300402 -1.448113 0.707041
N -0.785139 0.566293 -0.634074
N 1.061637 1.925061 0.161434
N -1.147340 2.891271 -0.045993
C -4.582120 0.117351 2.419319
C -2.512590 -1.949160 -2.059912
C 4.749576 0.636530 -1.476971
C 4.197135 -2.498002 1.765949
C -1.578175 1.666539 -0.490890
C 0.516500 0.741770 -0.265702
C -4.018740 -0.131336 3.814124
C -1.539463 -3.122158 -2.088312
C 5.446561 1.835551 -2.109833
C 5.115343 -3.632012 1.321658
C 0.174551 2.943078 0.233478
H -4.626705 1.196157 2.176788
H -5.585014 -0.329675 2.285121
H -3.441170 -2.158221 -2.625230
H -2.041773 -1.018893 -2.426883
H 5.411493 -0.242487 -1.383972
H 3.831836 0.349690 -2.025513
H 4.508857 -2.060012 2.732193
H 3.143140 -2.827087 1.842215
H -3.009105 0.300952 3.913533
H -3.962077 -1.211979 4.026056
H -4.676969 0.341096 4.566518
H -2.006849 -4.032558 -1.677086
H -0.638631 -2.885936 -1.497341
H -1.234251 -3.323489 -3.131920
H 6.339589 2.120886 -1.529268
H 4.766855 2.702335 -2.157839
H 5.764286 1.577285 -3.137255
H 6.157230 -3.280552 1.235186
H 4.796562 -4.038021 0.346910
H 5.081559 -4.447566 2.067451


