%chk=000013441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013441

0 1
 S   -3.735900     -0.5067000      0.3190000    
 O   -4.314600     -0.2206000       1.615200    
 O   -4.163300      -1.630000     -0.4888000    
 N  -7.0000000E-02  0.8290000     -0.2852000    
 N   0.7552000     -0.2824000     -0.3402000    
 C   -1.430700      0.4059000     -0.5756000    
 C   -1.955800     -0.5609000      0.4867000    
 C   -2.407200       1.587500     -0.5803000    
 C   -3.800600      0.9736000     -0.6813000    
 C    2.139800     -0.1906000     -0.1259000    
 C    2.975500      -1.262600     -0.4537000    
 C    2.692200      0.9732000      0.4172000    
 C    4.350900      -1.171500     -0.2400000    
 C    4.067600       1.064200      0.6308000    
 C    4.897000     -8.2000000E-03  0.3021000    
 H   -1.478500     -7.3500000E-02  -1.564400    
 H   -1.614300      -1.589100      0.3433000    
 H   -1.715900     -0.2271000       1.502100    
 H   -2.218800       2.278300      -1.408700    
 H   -2.323200       2.156700      0.3547000    
 H   -4.580000       1.640300     -0.3070000    
 H   -4.024000      0.6739000      -1.709300    
 H   0.2271000       1.493600      -1.000000    
 H   0.4297000      -1.110400     -0.8287000    
 H    2.563600      -2.175600     -0.8766000    
 H    2.078100       1.826300      0.6933000    
 H    4.996700      -2.006500     -0.4956000    
 H    4.493200       1.969100       1.054700    
 H    5.967800      6.2500000E-02  0.4689000    


%chk=000013441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013441

0 1
S -3.129377 -0.345193 1.042228
O -3.278419 0.350009 2.514349
O -3.736957 -1.833402 0.734766
N -0.059974 0.959777 -1.345888
N 1.002733 0.066953 -1.573738
C -1.353058 0.352722 -0.956424
C -1.267564 -0.264659 0.448042
C -2.443524 1.469047 -0.933387
C -3.740392 0.904986 -0.352226
C 2.068844 -0.057434 -0.654042
C 3.003542 -1.117328 -0.825085
C 2.245107 0.862328 0.414608
C 4.091333 -1.250346 0.062043
C 3.338025 0.713117 1.294556
C 4.268716 -0.339308 1.130539
H -1.675097 -0.440007 -1.675356
H -0.910182 -1.301847 0.492897
H -0.761157 0.390672 1.170781
H -2.617171 1.851319 -1.957207
H -2.070700 2.304885 -0.312888
H -4.374028 1.628771 0.177687
H -4.316660 0.268079 -1.039639
H -0.149419 1.661922 -2.093768
H 0.879890 -0.676853 -2.270665
H 2.876589 -1.830961 -1.649854
H 1.532191 1.683426 0.531576
H 4.802049 -2.072387 -0.081489
H 3.462773 1.428297 2.115995
H 5.113484 -0.448183 1.818289


