%chk=000002624.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002624

0 1
 S   0.7130000       2.354600      0.9996000    
 S    5.118400      0.7067000      6.1000001E-02
 S   -4.942900      -2.772600       1.814500    
 O  -0.4863000      0.1548000      -2.919100    
 O    1.539900      -2.028200      -1.835000    
 O    3.280200     -0.6378000      -2.353000    
 O   -3.268900       2.481000       1.055400    
 O   -7.073300      0.8189000      0.1647000    
 N   0.5000000      0.4065000     -0.7920000    
 N   -2.633400      0.9847000     -0.6382000    
 N   -5.910700       1.597400      7.9000004E-02
 N    7.838500      0.2366000      0.2483000    
 N   -5.572800      -1.383500     -0.2726000    
 N    6.649800      -1.273400       1.253200    
 N    8.726000     -0.6272000      0.7607000    
 N    7.993200      -1.548400       1.374500    
 N   -6.099600      -3.685100     -0.3993000    
 C  -0.2756000       1.033100      0.2630000    
 C   -1.265200       1.452900     -0.8458000    
 C  -0.4171000      0.5382000      -1.774900    
 C    1.752600     -8.8000000E-02 -0.6169000    
 C    2.488800      0.2222000      0.4767000    
 C    2.031900       1.215800       1.542500    
 C    3.851900     -0.3498000      0.7832000    
 C    2.297700     -0.9222000      -1.698100    
 C   -3.486400       1.553000      0.2930000    
 C   -4.843600      0.8992000      0.3266000    
 C    6.577100     -0.1647000      0.5533000    
 C   -4.996400     -0.5246000      0.6427000    
 C   -4.592000      -1.094000       1.831900    
 C    8.287200       1.384300     -0.4986000    
 C   -5.597000      -2.594700      0.2381000    
 C   -8.185000       1.654500     -0.1180000    
 H  -0.6692000      0.3028000      0.9812000    
 H   -1.236000       2.503000      -1.160400    
 H    1.683800      0.6660000       2.424000    
 H    2.867400       1.849800       1.856200    
 H   -2.990600      0.2152000      -1.200000    
 H    3.994800     -0.4344000       1.866700    
 H    3.945300      -1.363300      0.3774000    
 H    1.869000      -2.615300      -2.548600    
 H   -4.122500     -0.6244000       2.684800    
 H    7.940500       2.287200      9.6000005E-03
 H    9.379500       1.385000     -0.5462000    
 H    7.875200       1.324600      -1.508900    
 H   -9.095600       1.053100     -5.2999999E-02
 H   -8.105900       2.063900      -1.130000    
 H   -8.247000       2.466200      0.6135000    
 H   -6.496100      -3.623700      -1.331300    
 H   -6.099500      -4.603600      3.1800002E-02


%chk=000002624-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002624

0 1
S 1.243410 1.455917 1.429685
S 5.509594 -0.236163 -0.718118
S -5.351196 -3.032779 0.980046
O -0.405986 -0.143213 -2.635770
O 1.175787 -2.588158 -2.125957
O 3.437926 -2.061820 -2.196950
O -3.019590 2.681217 0.257210
O -7.010798 1.420617 0.596120
N 0.666144 -0.510004 -0.457962
N -2.430039 0.448709 -0.045368
N -5.685581 1.939409 0.428289
N 7.290025 1.665663 0.304328
N -5.853859 -1.023977 -0.742652
N 5.827744 0.971527 1.834872
N 7.587783 2.363818 1.502649
N 6.697975 1.926294 2.407462
N -6.768267 -3.117946 -1.450678
C 0.050572 0.186125 0.698462
C -1.042330 0.760675 -0.274155
C -0.289113 -0.015973 -1.409855
C 1.980882 -1.007785 -0.530365
C 2.921119 -0.700788 0.439067
C 2.629454 0.181088 1.639778
C 4.313328 -1.270218 0.408507
C 2.301760 -1.898692 -1.684471
C -3.362894 1.467833 0.186191
C -4.786674 0.973192 0.329645
C 6.222598 0.831513 0.536060
C -5.106164 -0.483490 0.320708
C -4.730609 -1.370929 1.318467
C 8.066616 1.894377 -0.914694
C -6.078607 -2.316738 -0.575202
C -7.948312 2.563203 0.656694
H -0.303160 -0.494442 1.488669
H -0.958692 1.857069 -0.395380
H 2.376891 -0.447281 2.515568
H 3.536736 0.752891 1.909261
H -2.759868 -0.517201 -0.118050
H 4.782750 -1.252416 1.403818
H 4.380280 -2.267760 -0.045060
H 1.397218 -3.093978 -2.953572
H -4.204102 -1.167852 2.248289
H 7.440935 2.362305 -1.693827
H 8.896409 2.569001 -0.659525
H 8.469832 0.941105 -1.296892
H -8.931888 2.102346 0.837123
H -7.942970 3.111592 -0.300138
H -7.673379 3.240376 1.482726
H -7.146677 -2.689754 -2.293108
H -6.919917 -4.106205 -1.274745


