%chk=000039771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039771

0 1
 S   0.5364000      -1.732800      -1.682500    
 O   0.9122000       2.209200      -1.426600    
 N   -1.055400       2.944100     -0.4870000    
 C   1.6899999E-02  0.9880000      0.4252000    
 C   -1.278300      0.2008000      0.4424000    
 C    1.300000      0.1697000      0.3812000    
 C   -1.715600     -0.5376000     -0.6705000    
 C    1.582500     -0.9267000     -0.4618000    
 C  -0.8764000     -0.6282000      -1.909700    
 C   -2.074600      0.2139000       1.602700    
 C   1.6899999E-02   2.090200     -0.5938000    
 C    2.317600      0.6071000       1.268300    
 C   -2.931300      -1.239700     -0.6034000    
 C    2.851400      -1.546300     -0.3625000    
 C   -3.280500     -0.4846000       1.656100    
 C   -3.710100      -1.210400      0.5517000    
 C    3.560800     -1.6899999E-02   1.343800    
 C    3.827600      -1.099700      0.5264000    
 H   3.5599999E-02   1.530600       1.384200    
 H   -1.475400      -1.055000      -2.723300    
 H  -0.5651000      0.3459000      -2.287600    
 H   -1.761100      0.7753000       2.479900    
 H    2.143300       1.461300       1.921200    
 H   -3.276800      -1.822800      -1.453900    
 H    3.103700      -2.401400     -0.9897000    
 H   -3.882200     -0.4608000       2.559800    
 H   -4.647200      -1.757700      0.5900000    
 H    4.312600      0.3460000       2.037600    
 H    4.791000      -1.598100      0.5735000    
 H   -1.158900       3.728300      -1.122500    
 H   -1.770000       2.844400      0.2265000    


%chk=000039771-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039771

0 1
S 0.576391 -1.609005 -1.813704
O 1.087258 2.539647 -1.242281
N -1.168143 2.818224 -0.780584
C 0.037496 1.025604 0.439730
C -1.270316 0.232425 0.482490
C 1.328612 0.195184 0.397718
C -1.749722 -0.481782 -0.656301
C 1.627208 -0.881753 -0.484922
C -0.951255 -0.489216 -1.932806
C -2.024672 0.198355 1.681323
C 0.048798 2.172868 -0.626500
C 2.326026 0.558746 1.343994
C -2.964489 -1.203048 -0.562636
C 2.875422 -1.554858 -0.386503
C -3.236540 -0.523476 1.766710
C -3.710121 -1.227032 0.636909
C 3.566029 -0.100372 1.440092
C 3.839812 -1.174743 0.564439
H 0.082945 1.583803 1.397270
H -1.515678 -0.939700 -2.765458
H -0.607052 0.507168 -2.247527
H -1.651835 0.736662 2.561599
H 2.115604 1.397581 2.019199
H -3.324487 -1.756547 -1.438171
H 3.090036 -2.380993 -1.074752
H -3.801296 -0.538379 2.705107
H -4.647753 -1.790985 0.689777
H 4.304627 0.218940 2.182543
H 4.794473 -1.709555 0.614204
H -1.216784 3.622565 -1.405315
H -2.010993 2.489768 -0.309945


