%chk=000017434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017434

0 1
 S    2.089200      -2.180700     -0.7024000    
 S    4.195200     -9.4999997E-03   1.081400    
 P    2.396200     -0.3869000      0.3952000    
 O    1.810600      0.8385000     -0.5156000    
 O    1.268000     -0.3483000       1.578300    
 O   -1.811200      0.9110000     -0.6998000    
 O  -0.2138000     -0.7500000      -1.847300    
 O   -3.556500      4.4999998E-03  0.4597000    
 N   -1.810700      -1.380600     -0.2674000    
 C   0.3482000      -2.610100     -0.4325000    
 C  -0.5612000      -1.502800     -0.9329000    
 C    2.467100       1.218600      -1.713500    
 C    1.087400      0.8218000       2.358800    
 C   -2.508000      -2.527200      0.3069000    
 C   -2.474800     -0.1304000     -0.1117000    
 C    1.713000       2.369100      -2.345400    
 C  -1.3200000E-02  0.5757000       3.368700    
 C   -2.445000       2.192800     -0.6195000    
 C   -1.980700       2.894400      0.6390000    
 H   0.1957000      -2.783000      0.6361000    
 H   0.1187000      -3.528000     -0.9807000    
 H    2.498500      0.3688000      -2.401200    
 H    3.491600       1.530700      -1.492600    
 H   0.8198000       1.659300       1.709400    
 H    2.013400       1.066700       2.885900    
 H   -2.345200      -2.520300       1.388900    
 H   -2.132100      -3.463000     -0.1136000    
 H   -3.582300      -2.456100      0.1116000    
 H    2.194100       2.689500      -3.273700    
 H    1.664400       3.221100      -1.659200    
 H   0.6800000       2.079100      -2.564300    
 H  -0.1853000       1.463100       3.983900    
 H   0.2444000     -0.2640000       4.022600    
 H  -0.9472000      0.3093000       2.863000    
 H   -3.536900       2.113000     -0.6601000    
 H   -2.131000       2.763900      -1.499300    
 H   -2.247900       2.321900       1.532700    
 H  -0.8913000       3.000200      0.6394000    
 H   -2.427400       3.889800      0.7149000    


%chk=000017434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017434

0 1
S 1.887191 -2.411754 -0.739461
S 4.798437 -0.446142 0.390646
P 2.756498 -0.703446 0.499447
O 1.762489 0.679813 0.142613
O 2.028116 -1.085023 2.029773
O -2.233710 1.054919 -1.828587
O -0.257994 -0.672365 -2.084159
O -3.979967 0.382141 -0.440690
N -1.931411 -0.781242 -0.403931
C 0.087189 -2.216158 -0.208743
C -0.680963 -1.139237 -1.003360
C 2.024384 1.425182 -1.130442
C 2.375430 -0.214807 3.197719
C -2.432663 -1.521191 0.787525
C -2.808857 0.241749 -0.878780
C 1.125797 2.656447 -1.091605
C 1.739299 -0.870862 4.418475
C -3.127778 2.121496 -2.392160
C -3.140825 3.361042 -1.495199
H 0.085942 -2.032028 0.875999
H -0.357118 -3.212199 -0.391850
H 1.760941 0.762739 -1.975052
H 3.099073 1.687455 -1.169400
H 1.974284 0.798596 3.011477
H 3.477669 -0.163674 3.283499
H -1.855029 -1.255447 1.690300
H -2.383882 -2.609795 0.624153
H -3.482807 -1.233445 0.937949
H 1.292717 3.258227 -2.004608
H 1.349837 3.283906 -0.211771
H 0.066398 2.351972 -1.066485
H 1.964390 -0.273350 5.321286
H 2.135196 -1.889862 4.564317
H 0.642788 -0.930469 4.307760
H -4.140494 1.699831 -2.513832
H -2.674100 2.320850 -3.375439
H -3.607948 3.137012 -0.522015
H -2.117440 3.739458 -1.328271
H -3.727281 4.161560 -1.983396


