%chk=000081749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081749

0 1
 S    3.126100     -0.3370000      8.2000002E-02
 O    3.560000     -0.4805000      -1.487200    
 O   -2.345500      -2.189300      1.6000001E-02
 O    3.922000      0.7425000      0.6464000    
 O    3.142600      -1.662800      0.6792000    
 O   -4.403200     -0.1857000     -3.8300000E-02
 N   -2.536900       1.273900     -2.4499999E-02
 C  -0.8552000     -0.2934000      1.7400000E-02
 C   -1.156000       1.065100     -1.2000001E-03
 C    1.458200      0.1843000      4.9500000E-02
 C   0.4372000     -0.7691000      4.2700000E-02
 C  -0.1596000       2.018700      4.9999999E-03
 C    1.163200       1.563800      3.0800000E-02
 C   -2.133400      -1.001200      4.9999999E-03
 C   -3.219400      7.0900001E-02 -2.2900000E-02
 H   0.6361000      -1.834300      4.9699999E-02
 H  -0.3825000       3.079300     -1.0900000E-02
 H    1.961500       2.301900      2.8200001E-02
 H   -2.964800       2.192000     -4.0300000E-02
 H    3.522100      0.3520000      -2.014300    


%chk=000081749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081749

0 1
S 3.193130 -0.214776 0.071310
O 3.386270 -0.271576 -1.774667
O -2.372863 -2.293037 -0.064317
O 4.089389 0.999389 0.653974
O 3.339979 -1.715840 0.654411
O -4.556224 -0.140675 -0.030167
N -2.641274 1.267579 0.026433
C -0.915104 -0.289939 0.004540
C -1.241216 1.102206 0.035894
C 1.396783 0.289798 0.042174
C 0.421457 -0.720944 0.003459
C -0.242766 2.093778 0.076707
C 1.105732 1.668120 0.075531
C -2.180363 -1.059085 -0.029347
C -3.321594 0.030827 -0.012680
H 0.684532 -1.783720 -0.011057
H -0.485778 3.159778 0.105148
H 1.924631 2.394049 0.116444
H -3.126256 2.165631 0.045743
H 4.314035 -0.590463 -1.977232


