%chk=000102950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102950

0 1
 S  -5.2999998E-03 -0.1865000     -1.4000000E-03
 O    3.289600      -1.859500     -5.7700001E-02
 O   -3.295400      -1.857400      6.0600001E-02
 O    3.368700     -0.1109000      -1.500500    
 O   -3.368300     -0.1063000       1.500900    
 N    3.654700       1.301300       1.066600    
 N   -3.649200       1.303100      -1.068300    
 C    1.308000       1.004400      0.4163000    
 C   -1.303600      0.9987000     -0.4175000    
 C    2.624400      0.3061000      0.7626000    
 C   -2.622500      0.3047000     -0.7627000    
 C    3.138900     -0.5499000     -0.3796000    
 C   -3.140000     -0.5479000      0.3807000    
 H   0.9693000       1.609300       1.264800    
 H    1.445800       1.669800     -0.4441000    
 H  -0.9660000       1.602900      -1.267200    
 H   -1.442100       1.667800      0.4401000    
 H    2.485100     -0.3261000       1.648100    
 H   -2.486200     -0.3292000      -1.647600    
 H    4.496900      0.8310000       1.396800    
 H    3.341600       1.893600       1.834900    
 H   -4.493200      0.8354000      -1.397500    
 H   -3.334100       1.892900      -1.837600    
 H    3.607400      -2.389500     -0.8196000    
 H   -3.615100      -2.385000      0.8232000    


%chk=000102950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102950

0 1
S 0.002856 -1.394804 0.036697
O 4.041621 0.770213 -0.899085
O -4.041028 0.760116 0.893054
O 1.811137 1.275749 -1.274883
O -1.818461 1.331307 1.219466
N 3.257121 0.542361 1.770247
N -3.255912 0.460514 -1.778842
C 0.993470 -0.184626 1.107351
C -0.992227 -0.239638 -1.088548
C 2.476798 -0.115112 0.697934
C -2.475686 -0.158617 -0.683382
C 2.674853 0.709285 -0.577089
C -2.676609 0.714304 0.558641
H 0.914809 -0.573298 2.137483
H 0.497737 0.795787 1.068301
H -0.910655 -0.673681 -2.100265
H -0.502161 0.744380 -1.093139
H 2.827034 -1.148583 0.456233
H -2.825511 -1.182712 -0.405502
H 4.234566 0.721894 1.521986
H 3.145883 0.102771 2.688184
H -4.238269 0.630802 -1.544031
H -3.128632 0.001676 -2.685166
H 4.164734 1.329193 -1.713531
H -4.168067 1.353520 1.682186


