%chk=000051911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051911

0 1
 S    5.262400     -1.8900000E-02 -0.7638000    
 O   -2.854600      7.8999996E-03  2.7000001E-03
 O   -1.396100       1.762200     -0.1564000    
 N  -0.6609000     -0.4645000     -0.1984000    
 N    5.868700      4.3000001E-02   2.023500    
 C   0.7241000     -0.3602000     -0.3305000    
 C    1.507500      -1.512700     -0.3899000    
 C    1.325200      0.8964000     -0.4034000    
 C    3.493500     -0.1521000     -0.5951000    
 C    2.892100      -1.408600     -0.5221000    
 C    2.710000       1.000500     -0.5357000    
 C   -1.605700      0.5558000     -0.1221000    
 C   -3.942000      0.9356000      9.4499998E-02
 C   -5.203300      0.2063000      0.2226000    
 C    5.621100      1.7800000E-02  0.8903000    
 C   -6.239900     -0.3907000      0.3280000    
 C   -7.502000      -1.117900      0.4557000    
 H    1.052100      -2.498300     -0.3344000    
 H   0.7841000       1.831700     -0.3642000    
 H    3.485900      -2.318300     -0.5670000    
 H    3.161300       1.988200     -0.5914000    
 H   -1.031800      -1.410600     -0.1515000    
 H   -3.793600       1.579300      0.9689000    
 H   -3.961700       1.558000     -0.8072000    
 H   -8.354300     -0.4445000      0.3239000    
 H   -7.585600      -1.582000       1.443000    
 H   -7.574000      -1.907900     -0.2978000    


%chk=000051911-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051911

0 1
S 5.370305 0.014610 -0.821790
O -2.889302 -0.036346 0.032494
O -1.463337 1.824369 -0.217206
N -0.674682 -0.416551 -0.153496
N 6.376017 -0.307386 1.934682
C 0.725806 -0.263349 -0.295485
C 1.515931 -1.446377 -0.304882
C 1.352720 1.005566 -0.426038
C 3.527163 -0.103457 -0.563745
C 2.914004 -1.368990 -0.444158
C 2.755094 1.076435 -0.556908
C -1.637621 0.584454 -0.123778
C -4.044011 0.924574 0.087935
C -5.280294 0.157792 0.206083
C 5.933256 -0.175376 0.828060
C -6.351216 -0.445308 0.307941
C -7.625057 -1.168698 0.427156
H 1.037325 -2.428014 -0.205409
H 0.746393 1.913280 -0.419757
H 3.517225 -2.281665 -0.455565
H 3.242181 2.052063 -0.648790
H -1.042125 -1.366262 -0.058768
H -3.889102 1.596318 0.952630
H -4.022788 1.540132 -0.830438
H -8.480301 -0.489079 0.257635
H -7.740950 -1.614669 1.431510
H -7.690135 -1.982567 -0.317712


