%chk=000039707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039707

0 1
 S   -1.498700      -2.571200      0.7492000    
 O    1.184300       1.530600     -1.7600000E-02
 O    1.008000      -1.175600      0.5932000    
 O    1.444100      -1.664900      -1.628000    
 N  -0.5401000      -2.391800     -0.6628000    
 C    1.180800       2.140700      -1.306700    
 C    2.296500      0.8252000      0.3304000    
 C   4.1099999E-02   1.562000      -2.131400    
 C    1.056100       3.648300      -1.147100    
 C    2.239600     -0.5158000      0.6377000    
 C    3.531300       1.472200      0.3793000    
 C    3.354400      -1.243700      0.9916000    
 C   -3.997700       1.250000      0.5143000    
 C   -2.472600      -1.081600      0.6576000    
 C    4.677800      0.7612000      0.7343000    
 C    4.589200     -0.5968000       1.040500    
 C   -4.453700      8.0100000E-02 -9.2900001E-02
 C   -2.779200       1.254200       1.193400    
 C   -3.691200      -1.085800     -2.1199999E-02
 C   -2.016700      8.8299997E-02   1.264900    
 C   0.6986000      -1.738700     -0.6511000    
 C   -4.812900       2.496300      0.4380000    
 C   -1.039000      -3.043400      -1.865600    
 H    2.112300       1.930700      -1.850000    
 H  -2.5599999E-02   2.046100      -3.110600    
 H   0.1759000      0.4905000      -2.291700    
 H  -0.9169000       1.685700      -1.614800    
 H    1.048800       4.152000      -2.118500    
 H    1.884400       4.049300     -0.5547000    
 H   0.1353000       3.907300     -0.6126000    
 H    3.619100       2.531000      0.1547000    
 H    3.285500      -2.300200       1.230800    
 H    5.638900       1.265300      0.7748000    
 H    5.481600      -1.150200       1.317700    
 H   -5.402400      6.3600004E-02 -0.6229000    
 H   -2.414300       2.158800       1.672600    
 H   -4.064200      -1.988200     -0.4991000    
 H   -1.074900      0.1128000       1.806400    
 H   -4.173900       3.386000      0.4340000    
 H   -5.406900       2.525000     -0.4818000    
 H   -5.491000       2.554800       1.295200    
 H  -0.3650000      -2.877800      -2.710600    
 H   -2.022300      -2.639000      -2.122900    
 H   -1.115200      -4.120600      -1.687300    


%chk=000039707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039707

0 1
S -1.489172 -2.560747 0.763797
O 1.308722 1.025682 -0.585395
O 1.178398 -1.481720 0.514769
O 1.481606 -1.799462 -1.809203
N -0.504464 -2.441094 -0.744011
C 1.395764 2.210114 -1.492659
C 2.459113 0.576874 0.069023
C 0.387335 1.934834 -2.613641
C 1.093833 3.491266 -0.696627
C 2.384859 -0.735154 0.615255
C 3.653934 1.317584 0.241192
C 3.455442 -1.284439 1.336588
C -4.244486 1.232423 0.498999
C -2.554040 -1.053213 0.607034
C 4.736643 0.758593 0.958903
C 4.641784 -0.535396 1.515400
C -4.785420 -0.061856 0.707021
C -2.837846 1.351468 0.335965
C -3.952267 -1.203222 0.749990
C -1.987809 0.226491 0.402860
C 0.768483 -1.891594 -0.782059
C -5.139705 2.458887 0.473299
C -1.121154 -2.938515 -1.988709
H 2.420446 2.241987 -1.914620
H 0.400614 2.758620 -3.350564
H 0.637093 0.990555 -3.125862
H -0.634168 1.847821 -2.202295
H 1.161780 4.376394 -1.355653
H 1.797235 3.627136 0.142818
H 0.070964 3.446261 -0.281415
H 3.744448 2.329008 -0.165336
H 3.347508 -2.294709 1.743022
H 5.652897 1.345343 1.086446
H 5.478772 -0.962300 2.076583
H -5.869398 -0.183582 0.821121
H -2.397621 2.343407 0.171737
H -4.387019 -2.199972 0.883267
H -0.904655 0.345939 0.290828
H -4.760872 3.224344 -0.226962
H -6.171248 2.202519 0.174799
H -5.194335 2.929710 1.474294
H -0.390277 -2.826340 -2.804758
H -2.029119 -2.354526 -2.225735
H -1.393399 -4.002718 -1.880806


