%chk=000055568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055568

0 1
 S    4.674300     -0.8826000     -0.4179000    
 S   -4.787600      -1.866200      0.6965000    
 O   0.3173000      -3.097500      4.1999999E-02
 O    3.117100       1.343900       1.349000    
 O    4.952100      0.5026000      -1.245300    
 O    4.712000      -1.971000      -1.389900    
 O    5.603400     -0.9002000      0.7076000    
 O  -0.8404000       1.028100       2.463100    
 O  -8.5900001E-02  -3.973600      -2.048400    
 O  -0.8099000       2.752100     -0.1143000    
 O   0.3138000       5.826100      -1.565800    
 O    1.293100       4.475800     -1.4900000E-02
 N    3.102200     -0.7153000      0.1637000    
 N   0.1376000     -0.1481000      0.6846000    
 N   -1.984800       2.010600     -0.3012000    
 N   -1.514800      -4.370500     -0.2911000    
 N   -4.219000      0.3605000     -0.4870000    
 N   -6.310600     -0.5796000      -1.063200    
 C    2.158800      -1.725600      0.6893000    
 C    1.368400     -0.5844000       1.364500    
 C    2.616200      0.2918000       1.026300    
 C    1.504200      -2.479400     -0.4413000    
 C  -0.8254000      0.6097000       1.316700    
 C   -1.993100      0.9302000      0.4198000    
 C  -0.3964000      -3.824900     -0.8713000    
 C   -3.160300      4.5800000E-02  0.3426000    
 C   -3.286400      -1.122800       1.063800    
 C   -5.134500     -0.5771000     -0.3816000    
 C  -0.8833000       3.908300     -0.9339000    
 C   0.3617000       4.733600     -0.7624000    
 H    2.639500      -2.392700       1.417100    
 H    1.222300     -0.7371000       2.439200    
 H    2.184300      -3.255800     -0.8120000    
 H    1.253700      -1.820400      -1.282000    
 H  -2.1199999E-02 -0.3832000     -0.2915000    
 H    5.846400      0.5749000      -1.654400    
 H   -1.730200      -4.216700      0.6882000    
 H   -2.161400      -4.942000     -0.8243000    
 H   -2.600200      -1.573100       1.767300    
 H  -0.9622000       3.605200      -1.983400    
 H   -1.748000       4.511800     -0.6376000    
 H   -6.555200      0.1632000      -1.709700    
 H   -6.991300      -1.323900     -0.9521000    
 H    1.116000       6.383300      -1.474100    


%chk=000055568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055568

0 1
S 5.202640 -0.792886 0.482507
S -5.641690 -1.527939 2.149445
O 0.757119 -2.212000 -1.250357
O 2.982487 1.235096 2.416664
O 5.461846 0.851081 -0.300566
O 5.262462 -1.933968 -0.649772
O 6.139793 -0.847015 1.791388
O -1.126440 -1.343970 2.245826
O -0.284285 -0.495784 -2.502375
O -0.927068 1.754341 -0.447982
O 0.752498 3.372042 -3.191809
O 1.533631 2.061462 -1.435757
N 3.446619 -0.617827 0.883234
N 0.250216 0.029302 0.989028
N -2.248384 1.200186 -0.200615
N -1.393437 -2.477725 -1.918156
N -4.682584 0.247852 0.369975
N -7.063891 0.039434 0.289560
C 2.303360 -1.493988 0.440683
C 1.429403 -0.642810 1.464072
C 2.696103 0.243712 1.745065
C 1.961378 -1.373186 -1.048623
C -1.004229 -0.402721 1.397023
C -2.224293 0.242057 0.733994
C -0.319376 -1.623782 -1.948521
C -3.570556 -0.274714 1.073220
C -3.873240 -1.224634 2.046863
C -5.819669 -0.270982 0.782704
C -0.891225 2.424894 -1.745857
C 0.585863 2.575057 -2.065707
H 2.432674 -2.548527 0.732916
H 1.165086 -1.245954 2.350312
H 2.774748 -1.794820 -1.662862
H 1.761248 -0.332209 -1.354514
H 0.306223 0.811087 0.314679
H 6.215736 1.280664 0.202363
H -1.340082 -3.355269 -1.405955
H -2.259702 -2.190915 -2.365749
H -3.180169 -1.750885 2.695194
H -1.364888 1.790131 -2.514097
H -1.394752 3.406223 -1.697681
H -7.127034 0.747786 -0.438497
H -7.910378 -0.377564 0.663564
H 1.718539 3.433469 -3.424127


