%chk=000126835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126835

0 1
 S    2.185200       1.459700      7.8699999E-02
 S    1.294900      -1.342600     -6.4700000E-02
 O   -3.096500       1.142100      5.6000002E-02
 N  -0.3757000      0.7297000      3.8300000E-02
 N   -1.268100     -0.2857000     -1.4600000E-02
 C    3.462200      0.2356000     -0.3317000    
 C    3.053800      -1.081100      0.3019000    
 C   0.8511000      0.3403000      1.9800000E-02
 C   -2.615600      1.2100000E-02 -1.0000000E-03
 C   -3.491300      -1.210100     -8.2599998E-02
 H    4.435300      0.5685000      4.1000001E-02
 H    3.530400      0.1444000      -1.421500    
 H    3.647300      -1.910700     -9.3400002E-02
 H    3.190500      -1.054800       1.388700    
 H  -0.9139000      -1.235500     -6.9399998E-02
 H   -2.990600      -2.085300      0.3410000    
 H   -3.734400      -1.406600      -1.130200    
 H   -4.412800      -1.034100      0.4793000    


%chk=000126835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126835

0 1
S 2.195291 1.489110 0.109955
S 1.525491 -1.542280 -0.176157
O -3.100698 1.204312 -0.201584
N -0.358886 0.584239 -0.046260
N -1.364546 -0.370699 -0.050200
C 3.597988 0.291236 -0.302699
C 3.279791 -1.060113 0.344459
C 0.882704 0.216903 -0.050240
C -2.719023 0.011765 -0.108253
C -3.680272 -1.174720 -0.052827
H 4.516873 0.731445 0.119034
H 3.682434 0.208916 -1.397335
H 3.945422 -1.857025 -0.025202
H 3.314448 -1.009244 1.443710
H -1.122254 -1.367368 0.047921
H -3.181548 -2.158559 -0.003954
H -4.328639 -1.148686 -0.945177
H -4.332775 -1.063332 0.830406


