%chk=000101425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101425

0 1
 S  -1.7100001E-02  -3.261700     -0.5034000    
 O  -0.5530000      -4.440100      0.1671000    
 O   0.2237000      -3.306200      -1.940100    
 O    1.797600     -0.6171000       1.970500    
 O   -3.209700       2.793900      -1.212000    
 N    1.435200      -2.807900      0.2783000    
 N    2.014000      -1.546400     -0.1374000    
 N   -3.586200       1.342200      0.6073000    
 N    3.966400       2.723300      0.7610000    
 C   -1.067200      -1.906200     -0.1764000    
 C   -1.109200     -0.8271000      -1.059300    
 C   -1.864800      -1.902300      0.9679000    
 C   -2.746100      0.2596000      0.3464000    
 C   -1.948700      0.2558000     -0.7979000    
 C   -2.704300     -0.8194000       1.229400    
 C    2.141100     -0.5356000      0.7941000    
 C    2.733900      0.7294000      0.2924000    
 C   -3.762800       2.504200     -0.1560000    
 C    2.609100       1.065500      -1.034300    
 C    3.403600       1.558100       1.152600    
 C   -4.767200       3.438200      0.4712000    
 C    3.174900       2.256700      -1.475200    
 C    3.836900       3.043100     -0.5462000    
 H  -0.4927000     -0.8067000      -1.953700    
 H   -1.842600      -2.729100       1.672400    
 H   -1.924900       1.054600      -1.525900    
 H   -3.319200     -0.8291000       2.125700    
 H    1.585800      -3.080500       1.257200    
 H    2.342500      -1.503700      -1.095600    
 H   -4.135400       1.269800       1.461300    
 H    2.066500      0.4605000      -1.752900    
 H    3.529300       1.329500       2.205600    
 H   -5.742900       2.947700      0.5269000    
 H   -4.858600       4.344700     -0.1336000    
 H   -4.438900       3.715200       1.477000    
 H    3.094400       2.563600      -2.511800    
 H    4.294000       3.982600     -0.8391000    


%chk=000101425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101425

0 1
S 0.216587 -2.085040 -0.268138
O -0.260338 -3.598197 -0.668536
O 1.188169 -1.233952 -1.308962
O 1.935358 0.765478 1.359546
O -4.259693 3.223760 1.040280
N 1.722576 -2.018498 1.494930
N 2.732391 -1.355872 0.869450
N -4.954817 1.030662 0.566762
N 5.467832 2.336804 -0.643028
C -1.359488 -1.080392 0.004387
C -1.268458 0.289225 0.302129
C -2.582799 -1.765612 -0.099312
C -3.715599 0.361527 0.387331
C -2.458289 1.021899 0.494440
C -3.766061 -1.030335 0.090185
C 2.756656 0.064861 0.699215
C 3.808196 0.589766 -0.208718
C -5.185588 2.380050 0.872981
C 4.102882 -0.033833 -1.450049
C 4.505320 1.778272 0.141080
C -6.658847 2.760119 0.992475
C 5.100669 0.537717 -2.266898
C 5.754911 1.712048 -1.826443
H -0.297829 0.791781 0.386727
H -2.596707 -2.834688 -0.334165
H -2.429327 2.087491 0.726417
H -4.734160 -1.539776 0.006592
H 1.203498 -1.283341 2.045408
H 3.385219 -1.944993 0.346016
H -5.787329 0.447578 0.455597
H 3.513320 -0.894111 -1.787430
H 4.280080 2.290514 1.082879
H -6.878454 3.567936 0.273612
H -6.842882 3.165104 2.002434
H -7.357038 1.924337 0.812360
H 5.350635 0.100931 -3.238135
H 6.526802 2.189880 -2.439918


