%chk=000083100.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083100

0 1
 S   0.3983000      -2.240100      0.3026000    
 O  -4.1200001E-02  -3.494500     -0.2969000    
 O   0.7945000      -2.233000       1.705400    
 N    1.678000      -1.606100     -0.6611000    
 N   -2.086900       2.062100       1.635400    
 C  -0.8750000      -1.067100      7.5499997E-02
 C  -0.9784000      2.6100000E-02  0.9355000    
 C   -2.911100      0.8053000     -0.2871000    
 C   -1.996400      0.9623000      0.7543000    
 C   -1.789500      -1.224100     -0.9660000    
 C   -2.807500     -0.2879000      -1.147200    
 C    2.065400     -0.2364000     -0.4559000    
 C   -4.011100       1.792600     -0.5050000    
 C    2.522600      0.1684000      0.7924000    
 C    1.977000      0.6677000      -1.507500    
 C    2.897400       1.497100      0.9919000    
 C    2.351900       1.996400      -1.307900    
 C    2.812000       2.411100     -5.8200002E-02
 H  -0.2780000      0.1540000       1.756700    
 H   -1.723800      -2.063300      -1.652600    
 H    1.699800      -1.917500      -1.641100    
 H   -3.510300     -0.4246000      -1.964900    
 H   -3.600100       2.787200     -0.7075000    
 H   -4.637700       1.520900      -1.361600    
 H   -4.665000       1.839300      0.3721000    
 H    2.627300     -0.5281000       1.617700    
 H    1.617600      0.3548000      -2.484000    
 H   -2.811100       2.758200       1.527000    
 H   -1.411300       2.161800       2.381900    
 H    3.261800       1.818800       1.963100    
 H    2.284700       2.708200      -2.125400    
 H    3.104900       3.445300      9.6799999E-02


%chk=000083100-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083100

0 1
S 0.373516 -2.209692 0.347984
O 0.005279 -3.622679 -0.363280
O 0.844007 -2.089071 1.896750
N 1.878507 -1.569147 -0.705074
N -2.389910 2.075769 1.634670
C -1.067094 -1.013702 0.087973
C -1.174604 0.067925 0.968877
C -3.171869 0.779376 -0.300448
C -2.244649 0.987633 0.777899
C -1.946938 -1.265213 -0.976494
C -3.005168 -0.341305 -1.143776
C 2.288874 -0.225034 -0.494252
C -4.316608 1.750944 -0.507448
C 2.854540 0.132795 0.763268
C 2.198561 0.750344 -1.528417
C 3.321359 1.446210 0.970110
C 2.705386 2.050402 -1.321010
C 3.259410 2.407719 -0.069115
H -0.465046 0.179525 1.796021
H -1.836497 -2.150504 -1.608526
H 1.604448 -1.794020 -1.678465
H -3.726071 -0.500766 -1.953916
H -3.951595 2.780493 -0.698457
H -4.937676 1.458259 -1.369742
H -4.983378 1.793894 0.377734
H 2.927511 -0.628426 1.545414
H 1.746118 0.481436 -2.491535
H -3.154553 2.733873 1.524100
H -1.734459 2.224507 2.396531
H 3.758147 1.715478 1.938303
H 2.655195 2.787391 -2.130317
H 3.644056 3.420488 0.093036


