%chk=000079399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079399

0 1
 S    4.352900      -2.011600     -0.1991000    
 O    4.781800      -2.058000      -1.776000    
 O    5.584400      -1.943900      0.5739000    
 O    3.386100      -3.072300      3.7400000E-02
 O  -0.6017000      -1.355600      0.4051000    
 O   -6.862900     -0.5876000      0.4051000    
 O   -5.406100      -1.756000       1.558900    
 N   6.6299997E-02  0.8049000     -0.2208000    
 N    4.267700       3.019700      0.8605000    
 N   -5.679800     -0.8879000      0.6954000    
 C    1.468800      0.7694000     -2.5500000E-02
 C    2.154700       1.922100      0.3195000    
 C    3.506400     -0.4975000      1.5000000E-03
 C    3.535600       1.864700      0.5082000    
 C    2.125600     -0.4400000     -0.1872000    
 C    4.211400      0.6548000      0.3491000    
 C    1.429500       3.220600      0.4921000    
 C  -0.8708000     -0.2155000     -6.6000000E-03
 C   -2.251200      0.1131000     -0.3253000    
 C   -3.293900     -0.5400000      0.3320000    
 C   -2.532400       1.081400      -1.289300    
 C   -4.617600     -0.2248000      2.5500000E-02
 C   -3.856100       1.396500      -1.595900    
 C   -4.898700      0.7434000     -0.9384000    
 H    1.597300      -1.333100     -0.5026000    
 H    5.288900      0.6207000      0.4908000    
 H  -0.3126000       1.732900     -0.3807000    
 H    1.354900       3.741900     -0.4674000    
 H   0.4235000       3.081200      0.9014000    
 H    1.910400       3.882900       1.217600    
 H    5.269500       2.945700      0.9849000    
 H    3.855700       3.940300      0.8239000    
 H   -3.059200      -1.288200       1.085800    
 H   -1.752800       1.590700      -1.848700    
 H   -4.075200       2.145000      -2.351900    
 H   -5.917500       1.013800      -1.204300    
 H    5.389400      -1.339200      -2.070200    


%chk=000079399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079399

0 1
S 4.511126 -1.998115 0.073422
O 4.519462 -2.143791 -1.780882
O 6.026546 -1.739420 0.579839
O 3.654430 -3.236010 0.662743
O -0.533097 -1.424653 -0.033612
O -6.924720 -0.950111 0.080227
O -5.330763 -2.353366 0.912406
N 0.062946 0.854738 -0.031542
N 4.340915 3.185360 0.525651
N -5.696822 -1.275885 0.309165
C 1.478213 0.797161 0.113080
C 2.180668 2.027118 0.311387
C 3.554830 -0.388547 0.141302
C 3.611130 2.007119 0.377927
C 2.163089 -0.446161 0.038349
C 4.312358 0.771944 0.293550
C 1.463425 3.359043 0.464208
C -0.845776 -0.202339 -0.134920
C -2.279802 0.217897 -0.367556
C -3.287417 -0.678839 0.059978
C -2.650532 1.418257 -1.030019
C -4.634604 -0.338721 -0.155473
C -4.011905 1.732060 -1.243771
C -5.022766 0.856633 -0.799723
H 1.614642 -1.383156 -0.070062
H 5.404126 0.722864 0.358768
H -0.342614 1.790789 -0.032772
H 1.422166 3.929172 -0.485777
H 0.430165 3.259186 0.841900
H 1.974050 3.994318 1.212101
H 5.353300 3.147973 0.603164
H 3.901046 4.098487 0.490312
H -3.014611 -1.622911 0.539851
H -1.885984 2.095789 -1.429055
H -4.283481 2.653762 -1.767556
H -6.084443 1.069652 -0.947909
H 4.823005 -3.072796 -2.000000


