%chk=000096144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096144

0 1
 S   0.6939000       1.923800      0.3254000    
 O   0.2370000       1.874800       1.701000    
 O    1.278800       3.137400     -0.2115000    
 O   -2.881100      -1.198900       2.373800    
 N  -0.5582000       1.400800     -0.7093000    
 N   -2.490800      0.2251000      -1.321100    
 N   -1.682300      0.1093000      0.9022000    
 N    4.683300      -2.418700     -0.4405000    
 C    1.879700      0.6326000      9.7700000E-02
 C   -1.609500      0.5386000     -0.3219000    
 C    2.829200      0.7561000     -0.9018000    
 C    1.836700     -0.4777000      0.9230000    
 C   -3.554300     -0.6041000      -1.059200    
 C    3.764800     -0.2627000      -1.081800    
 C    2.772500      -1.496500      0.7430000    
 C    3.736400      -1.388800     -0.2595000    
 C   -3.717400      -1.100000      0.1783000    
 C   -4.491000     -0.9145000      -2.184000    
 C   -2.727800     -0.7363000       1.246200    
 H  -0.5702000       1.780900      -1.664000    
 H    2.863200       1.620700      -1.557300    
 H    1.093300     -0.5820000       1.707000    
 H   -2.387400      0.5885000      -2.261700    
 H    4.510200     -0.1680000      -1.867300    
 H    2.739700      -2.369500       1.389900    
 H   -4.535800      -1.757800      0.4460000    
 H   -4.943700      5.5999998E-03  -2.568200    
 H   -5.302100      -1.580400      -1.870900    
 H   -3.954100      -1.404100      -3.003300    
 H    5.381300      -2.342200      -1.168300    
 H    4.661800      -3.236300      0.1544000    


%chk=000096144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096144

0 1
S 0.761685 2.002573 -0.018089
O 0.212394 2.346085 1.459710
O 1.342103 3.183553 -0.977634
O -1.809598 -2.189598 1.590719
N -0.697214 1.469283 -1.110786
N -2.820678 0.433074 -1.377016
N -1.257099 -0.330552 0.276980
N 4.812173 -2.470212 0.083444
C 1.960075 0.584652 -0.000565
C -1.593615 0.498657 -0.697043
C 3.061073 0.676324 -0.874032
C 1.765546 -0.482780 0.897174
C -3.758232 -0.561000 -1.035230
C 4.018278 -0.350475 -0.841652
C 2.729296 -1.502070 0.919776
C 3.866499 -1.454946 0.053756
C -3.439380 -1.444214 -0.030776
C -5.045986 -0.553813 -1.820823
C -2.143324 -1.373605 0.678896
H -0.921869 2.215607 -1.778552
H 3.168291 1.537891 -1.540434
H 0.869000 -0.531245 1.520866
H -3.044686 1.099610 -2.117609
H 4.889167 -0.300871 -1.505015
H 2.594891 -2.349310 1.601152
H -4.141132 -2.227711 0.263277
H -5.588726 0.402974 -1.697302
H -5.705923 -1.364028 -1.475432
H -4.861591 -0.702134 -2.902164
H 5.624077 -2.448395 -0.527163
H 4.710605 -3.257624 0.717865


