%chk=000088002.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088002

0 1
 S   0.6831000      -2.560200      0.1194000    
 O   -1.126200     -0.6286000       1.744800    
 O   0.8211000      -2.752000       1.550200    
 O   0.9205000      -3.659400     -0.7961000    
 O    2.921300       1.616100       2.316000    
 O    4.128400       2.645800      0.7988000    
 N   -2.769500     -0.5819000      0.1195000    
 N  -0.8439000      -1.868100     -0.2147000    
 N    3.363300       1.715700       1.147000    
 C   -3.671600      0.3166000      0.8048000    
 C   -3.337400       1.778600      0.4899000    
 C   -5.131300     -4.6000001E-03  0.4671000    
 C   -3.709900       2.168800     -0.9404000    
 C   -5.500900      0.3885000     -0.9634000    
 C   -5.169600       1.849900      -1.249100    
 C   -1.560000     -0.9832000      0.6527000    
 C    1.762900      -1.247900     -0.3665000    
 C    2.133300     -0.2959000      0.5677000    
 C    2.217400      -1.195300      -1.673000    
 C    2.984100      0.7406000      0.1837000    
 C    3.451800      0.8090000      -1.128700    
 C    3.068500     -0.1589000      -2.057100    
 C    4.364600       1.906400      -1.572500    
 H   -3.529800      0.1604000       1.881600    
 H   -2.270600       1.973900      0.6526000    
 H   -3.886800       2.426400       1.185000    
 H   -5.785600      0.5379000       1.161500    
 H   -5.329600      -1.073300      0.6128000    
 H   -3.061600       1.639200      -1.649000    
 H   -3.529500       3.239900      -1.086500    
 H   -6.572300      0.2197000      -1.121700    
 H   -4.974100     -0.2541000      -1.678500    
 H   -5.818700       2.495200     -0.6443000    
 H   -5.383000       2.078200      -2.299400    
 H   -3.007500     -0.8988000     -0.8152000    
 H   -1.297800      -2.145500      -1.094100    
 H    1.755200     -0.3639000       1.583600    
 H    1.924300      -1.933800      -2.412600    
 H    3.420900     -0.1212000      -3.084400    
 H    3.885600       2.889200      -1.510400    
 H    5.327000       1.876100      -1.051000    
 H    4.616700       1.783700      -2.634100    


%chk=000088002-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088002

0 1
S 0.636793 -2.588259 -0.181435
O -0.813421 -0.167662 1.037136
O 0.736931 -3.060475 1.359123
O 0.785560 -3.654210 -1.401791
O 3.103011 1.235888 2.596525
O 3.927877 2.783718 1.145662
N -2.902361 -0.614081 0.079562
N -1.011311 -1.861197 -0.564106
N 3.397926 1.635033 1.407248
C -3.599830 0.491268 0.789062
C -3.322900 1.867250 0.125112
C -5.118294 0.191235 0.828996
C -3.983335 1.990907 -1.267114
C -5.789130 0.322605 -0.562061
C -5.503780 1.705846 -1.196564
C -1.551133 -0.834505 0.250046
C 1.842066 -1.172043 -0.493444
C 2.154907 -0.300508 0.549847
C 2.422134 -1.101214 -1.769210
C 3.096076 0.716801 0.272938
C 3.725104 0.866431 -1.000748
C 3.364106 -0.078147 -1.999678
C 4.749720 1.927501 -1.343866
H -3.190500 0.507567 1.815991
H -2.230843 2.024956 0.065700
H -3.725678 2.652957 0.796212
H -5.584092 0.922945 1.517207
H -5.294307 -0.812860 1.261137
H -3.505279 1.275654 -1.967889
H -3.803147 3.002173 -1.678529
H -6.879403 0.162140 -0.461674
H -5.427629 -0.474529 -1.247610
H -5.991946 2.490782 -0.582441
H -5.954750 1.762650 -2.205881
H -3.445241 -1.194722 -0.560633
H -1.567457 -2.501587 -1.144218
H 1.691539 -0.384707 1.535800
H 2.159935 -1.833035 -2.539927
H 3.841551 -0.005650 -2.982107
H 4.293891 2.932345 -1.352055
H 5.562348 1.976164 -0.598821
H 5.187094 1.723776 -2.335506


