%chk=000028426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028426

0 1
 S  -0.2190000      0.2204000      -1.269400    
 O    2.176900      -2.629300     -0.2320000    
 O   -3.100500       1.033200      0.4441000    
 O   -3.716900      0.1710000      -1.609200    
 N    2.401300      0.2431000     -0.5235000    
 N  -8.6099997E-02  -2.049400     -4.3600000E-02
 C    1.955500      0.5355000      0.8460000    
 C    2.669100       1.480100      -1.270400    
 C    3.006200       1.345500       1.607400    
 C    3.742800       2.321100     -0.5784000    
 C    3.361600       2.628600      0.8653000    
 C    1.407400     -0.5714000      -1.222200    
 C    1.239400      -1.865800     -0.4501000    
 C  -0.9822000      -1.058000     -0.3901000    
 C  -0.4836000      -3.229900      0.7084000    
 C   -2.289500      -1.036300     -0.1040000    
 C  -0.3590000      -3.004900       2.201100    
 C   -3.122400      0.1001000     -0.5454000    
 C   -3.863400       2.217400      0.1898000    
 C   -3.737800       3.149200       1.376300    
 H    1.798900     -0.3794000       1.428100    
 H    1.025700       1.114300      0.8877000    
 H    1.777100       2.106900      -1.387700    
 H    3.027700       1.233500      -2.277400    
 H    3.910900      0.7389000       1.742300    
 H    2.634100       1.589500       2.609000    
 H    3.893400       3.256700      -1.128700    
 H    4.699000       1.782700     -0.5967000    
 H    2.502300       3.310200      0.8799000    
 H    4.187500       3.140000       1.371800    
 H    1.729300     -0.8269000      -2.238000    
 H   -1.493200      -3.549400      0.4318000    
 H   0.1836000      -4.054100      0.4281000    
 H   -2.802800      -1.810000      0.4526000    
 H   0.6670000      -2.738900       2.476700    
 H   -1.013500      -2.194500       2.537600    
 H  -0.6332000      -3.912700       2.747400    
 H   -3.481200       2.711000     -0.7108000    
 H   -4.915000       1.949000      3.9000001E-02
 H   -4.309600       4.067300       1.215000    
 H   -4.099200       2.662700       2.288200    
 H   -2.689000       3.411600       1.550400    


%chk=000028426-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028426

0 1
S -0.619755 0.734686 -0.666591
O 2.022639 -2.353920 -0.598676
O -3.349203 1.094356 0.097661
O -4.750870 -0.545394 0.998394
N 2.285073 0.630930 -0.296321
N -0.211526 -1.858647 -0.092814
C 2.284894 0.613096 1.187822
C 2.683696 1.930445 -0.891009
C 3.659580 1.038278 1.741190
C 4.065450 2.374542 -0.371515
C 4.085225 2.411367 1.173605
C 1.233978 -0.050453 -0.953302
C 1.076636 -1.522903 -0.535655
C -1.213479 -0.855941 -0.033167
C -0.460783 -3.262275 0.327571
C -2.481394 -1.118462 0.439812
C -0.343041 -3.455594 1.853113
C -3.619902 -0.209282 0.546555
C -4.484131 2.057961 0.184009
C -3.964329 3.395937 -0.333840
H 2.044986 -0.410639 1.525670
H 1.488881 1.291869 1.575437
H 1.925219 2.714101 -0.645668
H 2.703431 1.817709 -1.990828
H 4.408872 0.273085 1.462431
H 3.607459 1.070466 2.845872
H 4.305831 3.369500 -0.791632
H 4.830839 1.662200 -0.734597
H 3.386916 3.194762 1.534422
H 5.092690 2.684040 1.538902
H 1.355651 0.012774 -2.047129
H -1.452970 -3.567666 -0.046609
H 0.303814 -3.870224 -0.185204
H -2.724080 -2.123044 0.796174
H 0.679070 -3.216217 2.193933
H -1.056348 -2.819723 2.404742
H -0.549484 -4.509739 2.111190
H -5.322029 1.665877 -0.420967
H -4.818953 2.111325 1.236117
H -4.769721 4.152173 -0.294040
H -3.118982 3.751871 0.279697
H -3.620252 3.305375 -1.378354


