%chk=000002086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002086

0 1
 S    3.291800      0.9884000      0.6210000    
 O   -1.220200     -0.1481000      0.6620000    
 O   -2.333100     -4.3299999E-02  -1.352200    
 N  -9.1399997E-02 -0.2491000     -0.1622000    
 N   -3.454800      5.3599998E-02  0.6745000    
 C    2.358100     -0.4638000      7.7000000E-03
 C    2.373300     -0.4571000      -1.521400    
 C    3.003400      -1.740600      0.5478000    
 C   0.9590000     -0.3447000      0.5859000    
 C    2.247400       2.273400     -9.7300000E-02
 C   -2.334900     -4.6599999E-02 -0.1249000    
 C   -4.798800      0.1780000      0.1591000    
 H    1.932000      -1.385600      -1.906100    
 H    1.784800      0.3521000      -1.964300    
 H    3.393100     -0.4028000      -1.920200    
 H    3.014000      -1.762200       1.644300    
 H    4.034100      -1.856700      0.1933000    
 H    2.442000      -2.624800      0.2226000    
 H   0.8709000     -0.3491000       1.689500    
 H    2.312900       2.290800      -1.187000    
 H    2.621400       3.240200      0.2548000    
 H    1.206100       2.202800      0.2230000    
 H   -3.327600      4.1299999E-02   1.681800    
 H   -4.809900      0.1620000     -0.9332000    
 H   -5.216500       1.120700      0.5206000    
 H   -5.391600     -0.6530000      0.5487000    


%chk=000002086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002086

0 1
S 3.074265 1.114583 0.658026
O -1.292103 -0.388802 0.621090
O -2.321666 0.981160 -1.054171
N -0.050938 -0.330144 -0.196240
N -3.540522 -0.148844 0.613912
C 2.367576 -0.589972 0.014818
C 2.443590 -0.672598 -1.517742
C 3.249422 -1.655017 0.699771
C 0.966964 -0.618575 0.578770
C 2.048480 2.329818 -0.350120
C -2.402303 0.226693 -0.065045
C -4.861078 0.375298 0.256011
H 2.082915 -1.662159 -1.856578
H 1.810735 0.087496 -2.002200
H 3.488515 -0.543269 -1.848047
H 3.226614 -1.558120 1.800330
H 4.296328 -1.553816 0.364854
H 2.892786 -2.666473 0.430546
H 0.855967 -0.822582 1.655521
H 2.460163 2.436418 -1.364536
H 2.099607 3.292588 0.181844
H 1.000637 1.987409 -0.397189
H -3.435942 -0.801471 1.390892
H -4.734851 1.052578 -0.603460
H -5.310011 0.942714 1.092288
H -5.549650 -0.439111 -0.035545


