%chk=000148015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148015

0 1
 S  -2.0999999E-03   1.862100     -1.0000000E-03
 O   6.7199998E-02   2.592500      -1.258900    
 O  -2.9400000E-02   2.592800       1.259500    
 O    5.471600      -2.068100     -0.7693000    
 O   -5.480900      -2.060400      0.7704000    
 N    4.808600      -1.616000      0.3434000    
 N   -4.817300      -1.610000     -0.3426000    
 C    1.432300      0.8254000      0.1015000    
 C   -1.416100      0.8428000     -0.1011000    
 C    1.889000      0.4337000       1.345400    
 C   -1.895100      0.4351000      -1.346200    
 C    2.060800      0.4325000      -1.064500    
 C   -2.066800      0.4360000       1.063700    
 C    3.017800     -0.3818000       1.426300    
 C   -3.024800     -0.3790000      -1.426500    
 C    3.189400     -0.3832000     -0.9834000    
 C   -3.196500     -0.3782000      0.9833000    
 C    3.667800     -0.7903000      0.2620000    
 C   -3.675500     -0.7858000     -0.2618000    
 H    1.392300      0.7323000       2.263100    
 H   -1.400600      0.7320000      -2.266800    
 H    1.698500      0.7338000      -2.042300    
 H   -1.707100      0.7368000       2.043600    
 H    3.379700     -0.6945000       2.402500    
 H   -3.387300     -0.6917000      -2.402500    
 H    3.676800     -0.6888000      -1.905400    
 H   -3.684500     -0.6822000       1.905500    
 H    5.155600      -1.921000       1.243900    
 H   -5.164500      -1.915500      -1.242900    
 H    6.348200      -1.662700     -0.6578000    
 H   -6.357200      -1.654600      0.6582000    


%chk=000148015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148015

0 1
S 0.000442 1.953044 -0.000502
O 0.120532 2.728027 -1.442110
O -0.117905 2.728912 1.440747
O 5.400811 -2.241819 -0.745507
O -5.407918 -2.230604 0.746402
N 4.979229 -1.516602 0.456518
N -4.984950 -1.506780 -0.456034
C 1.504107 0.824176 0.123854
C -1.505308 0.827468 -0.124351
C 1.948843 0.439536 1.401181
C -1.950721 0.443023 -1.401501
C 2.170465 0.459267 -1.056985
C -2.172471 0.464494 1.056622
C 3.093226 -0.372622 1.494875
C -3.096685 -0.366943 -1.494840
C 3.318577 -0.352266 -0.963065
C -3.322163 -0.344851 0.963061
C 3.782375 -0.772917 0.312509
C -3.786673 -0.765296 -0.312311
H 1.424784 0.792531 2.295423
H -1.425932 0.794511 -2.295903
H 1.809514 0.823237 -2.024807
H -1.810896 0.828248 2.024286
H 3.465088 -0.679158 2.479571
H -3.469085 -0.673272 -2.479398
H 3.849413 -0.676025 -1.861083
H -3.853687 -0.667105 1.861215
H 5.007698 -2.172510 1.247718
H -5.014458 -2.163152 -1.246822
H 6.253125 -1.796707 -1.000156
H -6.259475 -1.783845 1.000694


