%chk=000065779.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065779

0 1
 S   -1.772000      -2.559800       1.588900    
 O   -3.275400      -1.542900     -0.9315000    
 O   -1.499500      -2.577800       3.013100    
 O   -2.622100      -3.570400      0.9900000    
 O    1.635200      0.2572000      -1.440500    
 O   0.8003000       1.539700      0.7238000    
 N   -3.359300      0.6390000     -0.1713000    
 N   -2.336500      -1.010000       1.139800    
 N    3.877300     -0.3227000      -1.308900    
 C   -4.059600       1.195300      -1.302500    
 C   -5.568300       1.208900      -1.086800    
 C   -3.732900       2.670600      -1.495900    
 C   -5.840300       2.476500     -0.2787000    
 C   -4.641500       3.397400     -0.5082000    
 C   -3.021200     -0.6984000     -7.7699997E-02
 C  -0.2270000      -2.618400      0.7324000    
 C    2.192600      -2.711100     -0.6092000    
 C    3.496200      -2.762400      -1.331600    
 C   0.9154000      -2.161400       1.366400    
 C  -0.1878000      -3.120800     -0.5567000    
 C    2.134600      -2.208000      0.6904000    
 C    1.031300      -3.167500      -1.232900    
 C    3.799900      -1.494400      -2.139500    
 C    2.771100      0.4684000      -1.023800    
 C    3.021900       1.659500     -0.1719000    
 C    2.025400       2.133100      0.6570000    
 C    4.264100       2.258300     -0.2427000    
 C    2.281000       3.252700       1.448700    
 C    4.519600       3.378000      0.5490000    
 C    3.528200       3.875200       1.394700    
 C  -0.1508000       2.116500       1.616000    
 H   -3.797700      0.6143000      -2.193400    
 H   -6.077400       1.286900      -2.055500    
 H   -5.945700      0.3140000     -0.5818000    
 H   -2.677000       2.907700      -1.331000    
 H   -3.992900       2.976600      -2.516800    
 H   -5.929100       2.240200      0.7878000    
 H   -6.778700       2.947900     -0.5883000    
 H   -4.116600       3.566200      0.4393000    
 H   -4.946500       4.376400     -0.8912000    
 H   -3.148200       1.243900      0.6162000    
 H   -2.233600     -0.2619000       1.835800    
 H    4.305200      -2.938200     -0.6100000    
 H    3.512200      -3.628400      -2.005600    
 H   0.8885000      -1.759200       2.374400    
 H   -1.080000      -3.475900      -1.062800    
 H    3.031300      -1.850900       1.190100    
 H    1.063000      -3.558500      -2.246400    
 H    3.035100      -1.339000      -2.909100    
 H    4.767100      -1.600500      -2.641700    
 H    4.775200     -0.1277000     -0.8788000    
 H    5.049400       1.921800     -0.9119000    
 H    1.561900       3.695100       2.129200    
 H    5.488000       3.867600      0.5016000    
 H    3.727900       4.748100       2.009500    
 H   -1.067500       1.531100       1.537000    
 H   0.1807000       2.048000       2.657600    
 H  -0.4081000       3.140800       1.325300    


%chk=000065779-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065779

0 1
S -1.745912 -1.402179 1.794365
O -3.270025 -1.124272 -0.969950
O -1.159049 -0.638830 3.116518
O -2.819239 -2.595190 1.959883
O 2.231997 0.920336 -1.429718
O 2.207177 1.301797 1.616676
N -4.108585 1.003245 -0.491269
N -2.515091 0.030566 0.929811
N 4.152183 -0.395050 -1.258036
C -4.916295 1.085296 -1.731823
C -6.264994 0.326108 -1.604796
C -5.370050 2.546155 -1.965192
C -7.202335 1.296717 -0.824734
C -6.607926 2.734433 -1.034247
C -3.314768 -0.097834 -0.225411
C -0.270432 -1.903805 0.725708
C 1.991811 -2.535695 -0.768994
C 3.230976 -2.734623 -1.621265
C 0.979759 -1.819096 1.355618
C -0.462938 -2.325127 -0.598892
C 2.114889 -2.154987 0.590732
C 0.696394 -2.633819 -1.342276
C 3.724700 -1.390492 -2.248879
C 3.364163 0.703396 -0.908235
C 4.021857 1.634966 0.086904
C 3.386604 1.985111 1.317282
C 5.255558 2.244696 -0.242122
C 3.980622 2.947783 2.172189
C 5.854782 3.200966 0.610010
C 5.206883 3.551272 1.813569
C 1.486010 1.665378 2.845287
H -4.298874 0.683088 -2.552784
H -6.656548 0.138567 -2.623019
H -6.134773 -0.652361 -1.114469
H -4.564299 3.280644 -1.784600
H -5.674150 2.646207 -3.022960
H -7.220934 1.037735 0.249163
H -8.242617 1.227477 -1.188057
H -6.309868 3.176772 -0.064040
H -7.342261 3.428079 -1.479726
H -4.191338 1.760153 0.188626
H -2.468745 0.870655 1.517565
H 4.052242 -3.174637 -1.023167
H 3.025112 -3.431858 -2.455867
H 1.061906 -1.483242 2.392721
H -1.466930 -2.357442 -1.035582
H 3.105289 -2.092181 1.053581
H 0.587292 -2.933321 -2.391056
H 2.904319 -0.926982 -2.823615
H 4.562543 -1.603204 -2.940328
H 5.029102 -0.537591 -0.753208
H 5.731856 1.990152 -1.196275
H 3.499379 3.225869 3.114064
H 6.802747 3.671346 0.330442
H 5.653274 4.296308 2.481726
H 0.605917 1.004549 2.871892
H 2.109889 1.489242 3.743561
H 1.168146 2.725456 2.816097


