%chk=000022080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022080

0 1
 S  -0.5436000      0.5101000     -0.9595000    
 S   0.6658000     -0.3086000       2.216300    
 S   -1.565200      -2.269000     -0.8824000    
 P    1.063000     -7.5999998E-02  0.3093000    
 O    1.669100      -1.431300     -0.3752000    
 O    2.297400      0.9543000      1.9400001E-02
 N   -3.063500     -7.4000001E-02 -0.1388000    
 C    2.883300      -1.997600      8.8100001E-02
 C    2.218100       2.302800      0.4501000    
 C   -4.252700     -0.8613000      0.2016000    
 C   -3.234100       1.365600      7.1300000E-02
 C   -1.860400     -0.6285000     -0.6165000    
 C    3.199000      -3.241700     -0.7280000    
 C    3.990100     -0.9589000     -1.0800000E-02
 C    3.493000       3.031100      5.2900001E-02
 C   0.9827000       2.950500     -0.1567000    
 C   -4.218400      -1.323100       1.643800    
 C   -3.723600       2.055600      -1.185100    
 H    2.761100      -2.305400       1.131900    
 H    2.146100       2.326500       1.542600    
 H   -5.152200     -0.2644000      1.2400000E-02
 H   -4.318700      -1.732900     -0.4566000    
 H   -3.958400       1.522300      0.8800000    
 H   -2.309400       1.828400      0.4244000    
 H    4.116200      -3.727000     -0.3811000    
 H    2.375800      -3.961200     -0.6594000    
 H    3.311700      -2.993600      -1.789100    
 H    4.968600      -1.451400      4.8900001E-02
 H    3.978200     -0.2681000      0.8368000    
 H    3.966300     -0.4104000     -0.9578000    
 H    3.482300       4.071700      0.3907000    
 H    4.367100       2.532400      0.4855000    
 H    3.628500       3.015000      -1.034200    
 H    1.041100       4.038600     -2.5300000E-02
 H   7.3500000E-02   2.662700      0.3734000    
 H   0.9075000       2.774600      -1.232800    
 H   -3.339800      -1.942100       1.850000    
 H   -4.189200     -0.4715000       2.331400    
 H   -5.110600      -1.913500       1.874500    
 H   -3.025700       1.933300      -2.018700    
 H   -4.690300       1.653100      -1.505500    
 H   -3.849100       3.127700      -1.003700    


%chk=000022080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022080

0 1
S -0.603602 0.872643 -0.637514
S 1.614872 0.239129 2.411942
S -0.989285 -1.994771 0.544387
P 1.471491 0.410884 0.354023
O 2.172258 -0.787608 -0.655594
O 2.234409 1.787762 -0.378495
N -3.002353 -0.228485 -0.001672
C 2.571591 -2.134293 -0.089321
C 2.610498 2.979441 0.462669
C -3.989811 -1.274936 0.388668
C -3.578397 1.083298 -0.407627
C -1.660092 -0.510377 0.017717
C 2.289308 -3.124864 -1.220031
C 4.042377 -2.054930 0.336381
C 3.700385 3.675963 -0.357016
C 1.376430 3.853093 0.725106
C -4.290681 -1.256716 1.900887
C -3.886489 1.161681 -1.918194
H 1.916304 -2.339123 0.778810
H 3.019463 2.599049 1.420177
H -4.908068 -1.093673 -0.200406
H -3.574211 -2.255641 0.099788
H -4.501973 1.226923 0.182419
H -2.874872 1.883860 -0.117745
H 2.560719 -4.147128 -0.897299
H 1.218136 -3.105512 -1.479370
H 2.881800 -2.870010 -2.116201
H 4.377902 -3.042452 0.704621
H 4.178766 -1.319602 1.148378
H 4.676274 -1.766728 -0.520499
H 4.077632 4.556555 0.194724
H 4.541495 2.989131 -0.548251
H 3.296929 4.014369 -1.327110
H 1.676042 4.769272 1.266973
H 0.630842 3.319312 1.340061
H 0.904934 4.147805 -0.228895
H -3.372276 -1.473003 2.471727
H -4.688277 -0.277495 2.224541
H -5.042458 -2.029702 2.143281
H -2.962205 1.059402 -2.512327
H -4.587926 0.365463 -2.226171
H -4.347281 2.136813 -2.159443


