%chk=000039510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039510

0 1
 S   0.3617000       1.934300     -0.1956000    
 O    6.684100     -0.3243000      3.4699999E-02
 O   -6.670000      0.5658000      0.2987000    
 N   0.6227000     -0.6184000      6.6299997E-02
 N   -6.392700      -1.644100     -0.2475000    
 C    1.903100     -8.7200001E-02  1.1400000E-02
 C    1.964700       1.302400     -0.1311000    
 C  -0.2591000      0.3488000     -3.2600001E-02
 C   -1.690800      0.1648000     -1.4000000E-02
 C    3.110600     -0.8148000      8.6000003E-02
 C    4.332700     -0.1395000      1.6600000E-02
 C    3.188500       1.987200     -0.2015000    
 C    4.368800       1.243300     -0.1254000    
 C   -2.236000      -1.085900     -0.3007000    
 C   -2.526500       1.238100      0.2920000    
 C   -4.456500     -0.1906000      2.4700001E-02
 C   -3.619400      -1.263600     -0.2815000    
 C   -3.909900       1.060400      0.3113000    
 C    5.575500     -0.8920000      9.3599997E-02
 C    5.547000      -2.408300      0.2492000    
 C   -5.898500     -0.3763000      4.5400001E-02
 H    3.045800      -1.891900      0.1965000    
 H    3.224100       3.066700     -0.3122000    
 H    5.314300       1.777900     -0.1804000    
 H   -1.603400      -1.935900     -0.5451000    
 H   -2.165700       2.228900      0.5508000    
 H   -3.973500      -2.260400     -0.5150000    
 H   -4.541600       1.909700      0.5585000    
 H    5.053100      -2.868000     -0.6109000    
 H    5.053000      -2.683800       1.184500    
 H    6.575000      -2.783000      0.2877000    
 H   -7.396200      -1.797800     -0.2465000    
 H   -5.839400      -2.461900     -0.4678000    


%chk=000039510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039510

0 1
S 0.433411 2.191485 0.046510
O 6.787697 -0.363301 0.065413
O -6.808476 0.568850 -0.059922
N 0.642464 -0.501282 -0.001775
N -6.532352 -1.726101 -0.093634
C 1.953620 -0.002573 0.020595
C 2.064975 1.429268 0.048740
C -0.271947 0.451510 0.007125
C -1.721629 0.236041 -0.011303
C 3.120218 -0.798421 0.017399
C 4.387565 -0.172563 0.042389
C 3.325363 2.063116 0.073842
C 4.475393 1.254514 0.070551
C -2.216322 -1.098875 -0.041951
C -2.650881 1.311888 0.000193
C -4.528894 -0.269096 -0.049025
C -3.599811 -1.344505 -0.060442
C -4.032863 1.059389 -0.018558
C 5.670415 -0.959012 0.040946
C 5.602923 -2.481986 0.010246
C -6.030288 -0.435288 -0.067470
H 3.009925 -1.886129 -0.004220
H 3.412700 3.153136 0.095380
H 5.475537 1.699429 0.089694
H -1.495744 -1.921853 -0.050665
H -2.293429 2.347899 0.023761
H -3.934505 -2.388133 -0.084293
H -4.763181 1.874539 -0.010380
H 5.076367 -2.838407 -0.894726
H 5.055373 -2.873814 0.887693
H 6.626284 -2.885997 0.014266
H -7.545760 -1.834653 -0.106434
H -5.948647 -2.558478 -0.099847


