%chk=000084118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084118

0 1
 S    1.974300     -0.5499000       2.311500    
 P    2.097900     -0.5570000      0.3651000    
 O    2.356900      0.8709000     -0.3706000    
 O   0.8200000      -1.131500     -0.4505000    
 O    3.300900      -1.453900     -0.2678000    
 O   -4.708900       1.704600      0.4323000    
 O   -5.392000     -0.3076000     -0.1189000    
 N   -4.472600      0.5187000      9.6900001E-02
 C    3.418800       1.704000      6.2500000E-02
 C    4.735400      0.9584000     -9.2900001E-02
 C    3.401000       2.996000     -0.7402000    
 C  -0.4805000     -0.7262000     -0.3160000    
 C  -0.7590000      0.5856000      5.4099999E-02
 C   -1.512700      -1.628800     -0.5509000    
 C   -3.123400      9.8999999E-02 -4.3000001E-02
 C   -2.084000      0.9992000      0.1911000    
 C   -2.837800      -1.215000     -0.4140000    
 C    3.265800      -2.866300     -0.1487000    
 H    3.265300       1.964000       1.115000    
 H    5.582700       1.638000      5.0400000E-02
 H    4.844900      0.1680000      0.6548000    
 H    4.826400      0.5062000      -1.086100    
 H    4.193100       3.678400     -0.4178000    
 H    2.435900       3.501500     -0.6267000    
 H    3.525300       2.792600      -1.809500    
 H   2.1299999E-02   1.315100      0.2362000    
 H   -1.293900      -2.653000     -0.8396000    
 H   -2.269500       2.030700      0.4799000    
 H   -3.621500      -1.943900     -0.6042000    
 H    4.136700      -3.280200     -0.6629000    
 H    2.359700      -3.263500     -0.6129000    
 H    3.305300      -3.157900      0.9035000    


%chk=000084118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084118

0 1
S 2.091558 -0.657254 2.361900
P 2.191679 -0.690764 0.306997
O 2.516145 0.767700 -0.529838
O 0.757654 -1.213940 -0.568034
O 3.297252 -1.776749 -0.437401
O -4.763808 1.817107 0.541741
O -5.513149 -0.211431 -0.187714
N -4.564318 0.614754 0.110264
C 3.530792 1.745961 0.033520
C 4.947914 1.193077 -0.154705
C 3.256906 3.038534 -0.736899
C -0.535188 -0.707516 -0.351595
C -0.785351 0.608527 0.110524
C -1.597939 -1.588398 -0.668054
C -3.168523 0.156877 -0.052262
C -2.113805 1.041594 0.265159
C -2.925703 -1.154305 -0.523069
C 3.314016 -3.188545 0.022443
H 3.297747 1.866901 1.110968
H 5.685293 1.928733 0.215330
H 5.092853 0.251336 0.402715
H 5.146267 0.998494 -1.222568
H 3.933636 3.834869 -0.377840
H 2.215480 3.372340 -0.593594
H 3.432264 2.889017 -1.816036
H 0.046040 1.284678 0.327641
H -1.363453 -2.595776 -1.022192
H -2.347857 2.048265 0.620561
H -3.770493 -1.806643 -0.757614
H 4.214458 -3.617424 -0.440299
H 2.410399 -3.711215 -0.334421
H 3.383034 -3.242604 1.124472


