%chk=000057141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057141

0 1
 S   -5.679900     -0.6875000      1.5000000E-02
 O    2.249600       1.335600     -0.4256000    
 O   0.4741000       2.584200      0.2320000    
 O    5.682400      -1.614300     -0.3683000    
 O   -6.352300      0.6570000      2.9999999E-02
 N   0.2252000      0.3388000     -0.4716000    
 N    4.380000     -0.1275000      0.8644000    
 C    2.496100     -5.3800002E-02 -0.6832000    
 C    1.137400     -0.6152000      -1.043300    
 C    3.094900     -0.6867000      0.5652000    
 C   0.9085000       1.514000     -0.1700000    
 C   -1.173300      9.6100003E-02 -0.3564000    
 C   -2.027100       1.102400      0.1050000    
 C   -1.702100      -1.150800     -0.7036000    
 C   -3.396700      0.8641000      0.2184000    
 C   -3.071800      -1.389200     -0.5904000    
 C   -3.919200     -0.3816000     -0.1294000    
 C    5.575500     -0.6393000      0.3708000    
 C    6.774500      0.1524000      0.8197000    
 C   -5.675700      -1.298700       1.721400    
 H    3.188300     -0.1402000      -1.528400    
 H   0.9904000     -0.6147000      -2.129500    
 H   0.9992000      -1.626600     -0.6506000    
 H    3.199400      -1.769100      0.4332000    
 H    2.464500     -0.5032000       1.442200    
 H    4.408000      0.6984000       1.455500    
 H   -1.688400       2.088500      0.3937000    
 H   -1.083800      -1.962100      -1.074700    
 H   -4.035800       1.662900      0.5851000    
 H   -3.464800      -2.364300     -0.8667000    
 H    7.685100     -0.4261000      0.6409000    
 H    6.823400       1.087500      0.2554000    
 H    6.706700      0.3750000       1.888400    
 H   -5.098400      -2.224600       1.777400    
 H   -6.707800      -1.499500       2.018700    
 H   -5.247500     -0.5469000       2.388900    


%chk=000057141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057141

0 1
S -5.933022 -0.505873 -0.406439
O 2.196646 1.249752 0.345487
O 0.316468 2.521136 0.877050
O 5.991104 -1.711386 -0.460826
O -6.499406 1.043120 -0.116021
N 0.142255 0.307800 -0.029230
N 4.763076 -0.079376 0.649291
C 2.473528 -0.072776 -0.300014
C 1.089949 -0.769242 -0.382134
C 3.503847 -0.817085 0.555528
C 0.797613 1.462135 0.438404
C -1.269690 0.116910 -0.090979
C -2.179436 1.178931 0.181995
C -1.773745 -1.164931 -0.453212
C -3.566487 0.952413 0.092584
C -3.165096 -1.384356 -0.541070
C -4.038970 -0.323390 -0.253930
C 5.945675 -0.582218 0.116781
C 7.172051 0.307158 0.280045
C -6.197272 -1.401873 1.285316
H 2.889601 0.147155 -1.298241
H 0.894649 -1.155300 -1.397481
H 1.013936 -1.610612 0.335612
H 3.743057 -1.793642 0.093890
H 3.076909 -0.992013 1.562595
H 4.740153 0.850417 1.071443
H -1.796766 2.162422 0.460504
H -1.096402 -1.995290 -0.671062
H -4.299070 1.749773 0.275988
H -3.540400 -2.371560 -0.834995
H 7.932831 -0.233696 0.869051
H 7.609578 0.502945 -0.713726
H 6.956346 1.270132 0.773643
H -5.687340 -2.377085 1.265357
H -7.285833 -1.512703 1.396361
H -5.781734 -0.732791 2.052036


