%chk=000080891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080891

0 1
 S  -0.4168000      -1.683400      -1.165300    
 S    4.924400       1.218800      0.4376000    
 O  -0.3217000      -3.083300     -0.7758000    
 O  -0.6036000      -1.333300      -2.567300    
 O    4.495300       2.307500       1.579500    
 O   -4.820100      0.6112000       2.019400    
 O    5.797700      0.2492000       1.082600    
 O    5.368900       1.949900     -0.7388000    
 O   -3.383000       2.606400      -1.250400    
 O   -5.355700       2.085200     -0.2488000    
 N    1.490500      -2.557500       1.047000    
 C    1.094100     -0.8866000     -0.6912000    
 C   -1.721300     -0.9995000     -0.2272000    
 C    1.866800      -1.395500      0.3378000    
 C    1.468500      0.2530000      -1.383000    
 C    3.443100      0.4042000      1.1000000E-03
 C    3.050400     -0.7452000      0.6869000    
 C    2.652200      0.9032000      -1.034000    
 C   -2.416800      0.1112000     -0.7050000    
 C   -2.067800      -1.564300       1.000200    
 C   -3.458600      0.6573000      4.4700000E-02
 C   -3.109700      -1.018400       1.749800    
 C   -3.805100      9.2600003E-02   1.272100    
 C   -4.171800       1.817200     -0.4721000    
 H   0.8643000      0.6691000      -2.183100    
 H    3.657100      -1.136900       1.499800    
 H    2.932300       1.802400      -1.575400    
 H   -2.144400      0.5403000      -1.665800    
 H   -1.542700      -2.427500       1.397500    
 H   -3.374400      -1.462800       2.705400    
 H   0.6368000      -3.052400      0.8391000    
 H    2.082200      -2.895500       1.795100    
 H    4.113900       1.926200       2.405000    
 H   -5.184700       1.405300       1.597700    
 H   -3.871100       3.385000      -1.593900    


%chk=000080891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080891

0 1
S -0.463424 -1.703309 -1.297941
S 5.034354 1.153446 0.645768
O -0.429773 -3.311494 -0.929902
O -0.722149 -1.166423 -2.817872
O 4.193609 2.304125 1.836466
O -4.826717 0.705842 2.131219
O 5.950612 0.116138 1.483514
O 5.667655 2.031138 -0.554641
O -3.976672 2.356413 -1.690075
O -5.260968 2.421885 0.237465
N 1.554550 -2.755135 0.941808
C 1.171316 -0.949145 -0.703265
C -1.802773 -0.923510 -0.222096
C 1.921810 -1.566033 0.347287
C 1.575407 0.209203 -1.384903
C 3.454267 0.306270 0.082849
C 3.106094 -0.867268 0.749626
C 2.751506 0.880283 -0.991276
C -2.501315 0.160920 -0.749544
C -2.092563 -1.496205 1.037555
C -3.535420 0.738331 0.032306
C -3.111862 -0.929421 1.815220
C -3.839969 0.191819 1.330516
C -4.322631 1.883709 -0.439560
H 0.969986 0.573176 -2.222538
H 3.746537 -1.264855 1.544706
H 3.106556 1.782300 -1.494519
H -2.280546 0.547132 -1.749742
H -1.544718 -2.376450 1.387581
H -3.375461 -1.332970 2.795981
H 0.842853 -3.334624 0.470730
H 2.141100 -3.157103 1.669484
H 4.895023 2.909545 2.217166
H -5.267117 1.491780 1.648870
H -4.559955 3.123589 -1.937042


