%chk=000083105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083105

0 1
 S    2.630500      0.8249000      -2.178100    
 P    2.843900      5.6800000E-02 -0.3982000    
 O    1.738800      -1.033600      6.8999998E-02
 O    4.224400     -0.7679000     -0.1404000    
 O    2.859200       1.085900      0.8619000    
 O   -4.510300      -1.402600     -0.1255000    
 O   -4.287400      0.7550000      0.2125000    
 N   -3.796200     -0.3865000      4.6900000E-02
 C   -1.546400      0.5671000      0.2432000    
 C   -2.103000       1.939800      0.4433000    
 C   -2.381700     -0.5340000      5.5100001E-02
 C  -0.1616000      0.3993000      0.2477000    
 C   0.3800000     -0.8687000      6.4099997E-02
 C   -1.832500      -1.803000     -0.1285000    
 C  -0.4477000      -1.970700     -0.1239000    
 C   -2.287400       2.685600     -0.8744000    
 C    5.473000     -0.1610000     -0.4277000    
 C    3.204400      0.6134000       2.153000    
 H   -2.934200       2.031700       1.146000    
 H   -1.337400       2.512600      0.9913000    
 H   0.4711000       1.266200      0.3992000    
 H   -2.448900      -2.685700     -0.2782000    
 H  -2.3399999E-02  -2.960400     -0.2674000    
 H   -1.341100       2.762400      -1.421800    
 H   -2.644700       3.702500     -0.6828000    
 H   -3.009400       2.191700      -1.531800    
 H    6.252600     -0.6887000      0.1272000    
 H    5.472800      0.8896000     -0.1252000    
 H    5.684000     -0.2416000      -1.496900    
 H    2.852500       1.337800       2.891900    
 H    4.290100      0.5254000       2.238300    
 H    2.735100     -0.3520000       2.357900    


%chk=000083105-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083105

0 1
S 2.806632 1.841622 -1.705638
P 3.057617 0.691487 -0.037007
O 1.967046 -0.698882 0.171987
O 4.511661 -0.192596 0.207019
O 2.946240 1.540153 1.446515
O -4.224741 -1.881412 -0.153435
O -4.395514 0.373413 -0.399425
N -3.696930 -0.700787 -0.220661
C -1.565218 0.632226 0.212242
C -2.235244 1.976933 0.458136
C -2.224738 -0.594626 -0.102052
C -0.151174 0.583645 0.304554
C 0.565135 -0.609331 0.068133
C -1.506698 -1.800770 -0.311662
C -0.108587 -1.814365 -0.242559
C -2.403302 2.792931 -0.853142
C 5.101578 -0.932873 -0.934060
C 3.250591 0.842977 2.729474
H -3.226184 1.847815 0.921885
H -1.602496 2.552775 1.159451
H 0.385860 1.501259 0.569028
H -2.069304 -2.711031 -0.532976
H 0.467024 -2.726536 -0.418701
H -1.430523 2.949473 -1.353160
H -2.839630 3.782387 -0.627582
H -3.081037 2.269952 -1.547857
H 6.092875 -1.246525 -0.576714
H 5.201322 -0.273109 -1.814758
H 4.482255 -1.813085 -1.177769
H 3.059428 1.608275 3.495496
H 4.304559 0.523197 2.744626
H 2.580599 -0.023292 2.868315


