%chk=000095013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095013

0 1
 S    3.166600     -1.4800000E-02 -9.6299998E-02
 P   -3.132900      9.1399997E-02  1.6500000E-02
 O   -3.592900     -0.8337000      -1.233000    
 O   -3.550300     -0.8346000       1.280300    
 O    3.594300      -1.282000     -0.6725000    
 O    3.639100       1.237000     -0.6713000    
 O   -3.810100       1.431300      2.8400000E-02
 N    3.524700     -2.0300001E-02   1.574400    
 C    1.421400      1.4100000E-02 -6.2500000E-02
 C   -1.367500      6.1200000E-02 -1.3000000E-02
 C   0.7446000       1.233600     -4.9300000E-02
 C   0.7038000      -1.181900     -5.0900001E-02
 C  -0.6499000       1.257200     -2.4499999E-02
 C  -0.6907000      -1.158400     -2.6200000E-02
 H    1.283200       2.177100     -5.1899999E-02
 H    1.210100      -2.143000     -5.4499999E-02
 H   -1.167200       2.212000     -1.3100000E-02
 H   -1.242200      -2.094200     -1.6100001E-02
 H    3.898600     -0.8874000       1.979000    
 H    3.927200      0.8342000       1.978500    
 H   -4.550100     -0.9210000      -1.428800    
 H   -4.500300     -0.9221000       1.508200    


%chk=000095013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095013

0 1
S 3.220885 -0.006499 -0.060949
P -3.257712 0.086918 -0.001523
O -3.629513 -0.913279 -1.366586
O -3.613739 -0.915007 1.366856
O 3.690369 -1.446278 -0.660371
O 3.707614 1.427692 -0.659765
O -3.960891 1.516085 0.003480
N 3.659334 -0.010314 1.727392
C 1.334162 0.004719 -0.024132
C -1.422094 0.018856 -0.010566
C 0.685124 1.248050 -0.028835
C 0.670035 -1.232253 -0.027564
C -0.727098 1.249096 -0.021298
C -0.741174 -1.219829 -0.020482
H 1.261002 2.178073 -0.061965
H 1.236155 -2.168320 -0.059569
H -1.282851 2.193099 -0.025807
H -1.299505 -2.160287 -0.025283
H 4.188230 -0.876098 1.927086
H 4.194308 0.851157 1.929542
H -4.534065 -0.779182 -1.748450
H -4.519077 -0.790698 1.750187


