%chk=000017509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017509

0 1
 S    2.273400     -0.2852000     -0.2185000    
 S    7.309500       1.651700     -0.8642000    
 F  -0.3151000     -0.9644000      -1.712400    
 F   -1.444200      -2.770800      -1.290400    
 F  -0.1011000      -3.234100      0.9564000    
 F    1.126000      -3.068200     -0.8277000    
 F   -2.299600      -1.773500       1.086300    
 F   -1.149900      5.0900001E-02  0.7997000    
 F    2.210700      -2.222500       1.497900    
 F   0.6570000     -0.7306000       1.764700    
 F   -3.625200      -1.372800      -1.224900    
 F   -2.489400      0.4430000      -1.619000    
 F   -4.481400     -0.3789000       1.169300    
 F   -3.329400       1.445800      0.8689000    
 F   -5.816400      2.1100000E-02  -1.145500    
 F   -4.687300       1.838000      -1.543800    
 F   -6.730900       1.054500       1.213100    
 F   -7.127100       2.312400     -0.5240000    
 F   -5.579600       2.882200      0.8928000    
 O    2.784500      -1.027700      -1.355300    
 O    1.462800      0.9000000     -0.4277000    
 O    6.189700      0.9551000      0.1011000    
 O    7.602900       3.083200     -0.1389000    
 O    6.712700       1.921700      -2.159000    
 O    8.520900      0.8582000     -0.7710000    
 N    3.583100      0.1310000      0.8113000    
 C  -0.7834000      -1.733000     -0.6991000    
 C   0.3950000      -2.332300      5.8400001E-02
 C   -1.786700     -0.9447000      0.1324000    
 C    1.345900      -1.417300      0.8167000    
 C   -2.968300     -0.3425000     -0.6201000    
 C   -3.970800      0.4454000      0.2114000    
 C    4.742000     -0.7915000      0.8839000    
 C   -5.149000       1.045500     -0.5417000    
 C    3.296700      0.7802000       2.113400    
 C    5.781700     -0.3847000     -0.1444000    
 C   -6.148100       1.828000      0.2735000    
 C    3.988300       2.127000       2.176600    
 H    4.428800      -1.826300      0.7153000    
 H    5.200900     -0.7592000       1.878600    
 H    2.221800      0.9602000       2.214100    
 H    3.581100      0.1453000       2.958800    
 H    5.380900     -0.4517000      -1.160800    
 H    6.650800      -1.047000     -7.1400002E-02
 H    5.075800       2.013000       2.208900    
 H    3.737100       2.744800       1.308000    
 H    3.685300       2.666700       3.079500    
 H    8.266900       3.656000     -0.5897000    


%chk=000017509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017509

0 1
S 2.211146 0.424390 -0.111920
S 8.296457 1.475834 -0.645076
F -0.482889 -0.590399 -1.606441
F -1.574694 -2.591345 -1.364127
F -0.223136 -3.173673 0.950324
F 1.083199 -2.721357 -0.862222
F -2.293814 -1.482229 1.400555
F -1.684511 0.516021 0.464895
F 2.193468 -1.903316 1.517166
F 0.429202 -0.525720 1.956715
F -4.148817 -1.973944 -0.442644
F -3.294596 -0.447759 -1.923724
F -4.365876 0.414902 1.425561
F -4.079592 1.646042 -0.481257
F -6.539079 -0.806323 0.519985
F -6.105431 -0.302396 -1.670166
F -6.663115 2.120280 0.985091
F -8.246382 1.097563 -0.282025
F -6.645082 2.348344 -1.278748
O 2.580452 -0.105592 -1.595050
O 1.330908 1.743220 0.184421
O 6.739423 0.991362 0.204281
O 9.336037 0.954375 0.764569
O 8.412648 3.070228 -0.786723
O 8.534690 0.504415 -1.901352
N 3.778940 0.559033 0.785973
C -0.984506 -1.514190 -0.662314
C 0.249640 -2.121277 0.113819
C -2.114237 -0.798842 0.178219
C 1.142140 -1.162104 0.935253
C -3.511639 -0.717889 -0.555514
C -4.482546 0.387433 0.017662
C 4.805808 -0.424862 0.379479
C -6.002669 0.170634 -0.342290
C 3.682164 1.056430 2.186385
C 5.839249 0.133760 -0.614178
C -6.898042 1.462562 -0.229670
C 4.796643 2.075946 2.487241
H 4.333013 -1.291670 -0.121666
H 5.316982 -0.798801 1.285241
H 2.698666 1.548690 2.297047
H 3.725141 0.203063 2.893982
H 5.348797 0.723921 -1.406591
H 6.416373 -0.698132 -1.058852
H 5.799261 1.641642 2.342744
H 4.707592 2.954315 1.827395
H 4.702152 2.406306 3.538035
H 10.079761 1.623110 0.842013


