%chk=000004806.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004806

0 1
 S    4.405000       1.551700      0.1814000    
 S    4.087800      -2.571000       1.141200    
 O    4.759600       2.597500       1.133800    
 O    4.838800       1.687300      -1.203800    
 O   -1.956100      2.4300000E-02  -1.832600    
 O   -4.108500      -2.465000       1.660900    
 O   -2.599900      -2.252300     -2.6000001E-02
 N   -1.493400      0.9445000      0.2756000    
 N    4.954000      4.5299999E-02  0.8123000    
 N    4.240300      -1.275500      -1.090700    
 C    2.668700       1.373400      0.2088000    
 C  -8.4600002E-02   1.090200      0.2529000    
 C    2.004100      0.8448000     -0.8978000    
 C    1.945900       1.759400       1.337500    
 C   0.6166000      0.7022000     -0.8757000    
 C   0.5585000       1.616700       1.359800    
 C   -3.756600      0.4392000     -0.4193000    
 C   -2.332000      0.4392000     -0.7260000    
 C   -4.364200     -0.6524000      0.2009000    
 C   -4.514600       1.560200     -0.7576000    
 C    4.454200      -1.162300      0.2123000    
 C   -5.730000     -0.6230000      0.4828000    
 C   -5.880500       1.589400     -0.4757000    
 C   -6.488100      0.4979000      0.1445000    
 C   -3.599600      -1.837700      0.5664000    
 C    3.612700      -3.383600     -0.2925000    
 C    3.761900      -2.540200      -1.373300    
 H    2.539600      0.5586000      -1.797900    
 H    2.442700       2.166300       2.213600    
 H   0.1765000      0.2905000      -1.771400    
 H   4.9000001E-03   1.918300       2.244600    
 H   -1.942700       1.253600       1.135400    
 H    5.132400     -9.9999998E-03   1.822600    
 H   -4.052900       2.417200      -1.241300    
 H   -6.236400      -1.462200      0.9528000    
 H   -6.470900       2.461900     -0.7399000    
 H   -7.552300      0.5198000      0.3609000    
 H    3.258500      -4.404300     -0.2772000    
 H    3.533000      -2.799900      -2.397900    
 H   -3.587800      -3.261200       1.900400    


%chk=000004806-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004806

0 1
S 4.226194 0.883711 0.889412
S 7.006167 -2.178108 -0.513509
O 4.590012 1.392716 2.395923
O 4.850683 1.582183 -0.439168
O -2.200265 0.315555 -1.811469
O -5.437849 -0.410219 3.029834
O -3.335550 0.388525 2.618184
N -1.817478 0.620459 0.469483
N 4.774751 -1.082301 0.932159
N 4.489535 -1.706419 -1.367119
C 2.369722 0.777543 0.721392
C -0.403096 0.659281 0.486432
C 1.814584 0.612726 -0.557618
C 1.601874 0.875758 1.895076
C 0.411916 0.555624 -0.678148
C 0.204212 0.820766 1.767616
C -4.170818 0.470811 -0.413668
C -2.644699 0.451317 -0.625294
C -4.983225 0.276588 0.766768
C -4.855060 0.656539 -1.646548
C 5.225313 -1.592363 -0.260472
C -6.405516 0.263519 0.639088
C -6.258125 0.667375 -1.749040
C -7.044899 0.464289 -0.595055
C -4.480939 0.102560 2.159343
C 6.525488 -2.599621 -2.180472
C 5.202717 -2.247138 -2.427481
H 2.457302 0.527319 -1.438429
H 2.086071 1.009554 2.867062
H -0.062229 0.426021 -1.651323
H -0.425639 0.900495 2.660568
H -2.284895 0.680471 1.399836
H 5.442403 -1.107421 1.722472
H -4.230067 0.771270 -2.536741
H -7.000428 0.097316 1.539709
H -6.729990 0.825536 -2.724408
H -8.137875 0.458978 -0.653105
H 7.224050 -3.099710 -2.847963
H 4.694431 -2.397071 -3.380720
H -5.044182 -0.465634 3.942194


