%chk=000002653.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002653

0 1
 S   0.5982000      -2.761900      0.5212000    
 S    4.757300     -0.4018000      0.8899000    
 S    7.724400      0.1494000       1.293400    
 O   -1.341400       1.441400      0.9721000    
 O    1.683300       2.207800      -1.129900    
 O    2.036600       2.118300       1.127900    
 O   -4.230100      0.1640000       1.133400    
 N   0.1240000     -0.1845000      9.4700001E-02
 N   -2.908000      -1.093000     -0.3021000    
 N   -6.443400     -5.2999998E-03 -0.5369000    
 N   -7.354400     -0.6471000      0.1881000    
 N    6.579900      0.1667000     -0.9994000    
 N   -8.023300       1.427600     -0.2794000    
 N   -8.329100      0.2401000      0.3462000    
 N    7.910700      0.4572000      -1.243500    
 C  -0.4144000      -1.485000     -0.2600000    
 C   -1.688400      -1.058300      0.5014000    
 C   -1.020800      0.3444000      0.5786000    
 C    1.421200      0.1721000     -9.0300001E-02
 C    2.377900     -0.7504000     -0.3508000    
 C    2.114100      -2.254400     -0.3596000    
 C    3.822300     -0.4272000     -0.6485000    
 C    1.750900       1.596200      6.9100000E-02
 C   -4.093400     -0.4686000      8.9500003E-02
 C   -5.199700     -0.6636000     -0.9244000    
 C    6.369400     -1.1100000E-02  0.2749000    
 C   -6.841200       1.247800     -0.8223000    
 C    8.617200      0.4793000     -0.1336000    
 H  -0.5398000      -1.602700      -1.343600    
 H   -1.836700      -1.511600       1.488600    
 H    2.937600      -2.789100      0.1247000    
 H    2.055200      -2.605300      -1.395900    
 H   -2.915000      -1.598100      -1.185300    
 H    3.905400      0.5462000      -1.143800    
 H    4.239100      -1.167300      -1.341600    
 H   -5.411600      -1.730900      -1.049100    
 H   -4.894700     -0.2450000      -1.889500    
 H    1.897700       3.163200      -1.069600    
 H   -6.273100       1.964300      -1.397200    
 H    9.677600      0.6886000     -0.1204000    


%chk=000002653-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002653

0 1
S 0.727125 -1.397175 0.599850
S 5.175250 1.013581 -0.165999
S 7.138841 -0.299445 1.902056
O -0.740531 2.978915 -0.032260
O 1.045227 3.063912 -2.392496
O 3.276157 2.915324 -1.757282
O -3.710115 -0.606270 1.504924
N 0.362164 0.945798 -0.859333
N -2.812577 0.411755 -0.390647
N -6.054394 -1.160738 -0.129619
N -6.643944 -1.762645 -1.269758
N 5.334964 -1.696948 0.505966
N -7.161628 -2.948353 0.601342
N -7.305914 -2.835766 -0.805920
N 6.006420 -2.647279 1.308482
C -0.322846 -0.336032 -0.556340
C -1.465009 0.485015 0.138916
C -0.627567 1.761105 -0.227067
C 1.718566 1.103281 -1.213372
C 2.618247 0.061400 -1.069917
C 2.243619 -1.308217 -0.531015
C 4.055443 0.176848 -1.506683
C 2.120415 2.424401 -1.779594
C -3.860552 -0.097099 0.358925
C -5.252773 0.053322 -0.285972
C 5.784830 -0.449835 0.676817
C -6.386748 -1.900445 0.977285
C 6.940962 -2.103939 2.074825
H -0.602354 -0.914526 -1.450693
H -1.511349 0.305349 1.227139
H 3.087808 -1.712481 0.057437
H 2.077000 -2.007286 -1.373231
H -2.993654 0.791243 -1.322614
H 4.207072 0.837583 -2.370808
H 4.506859 -0.812141 -1.678092
H -5.206060 0.260111 -1.367611
H -5.759074 0.904902 0.206575
H 1.319572 3.975894 -2.680433
H -6.043206 -1.685699 1.983482
H 7.555254 -2.675022 2.769735


