%chk=000031564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031564

0 1
 S    1.392500       1.031500      0.5397000    
 S   -1.589200      0.6897000      0.5398000    
 S   0.1975000      -1.721300      0.5399000    
 N    5.202100      6.5300003E-02 -0.4602000    
 N   -2.658100       4.471700     -0.4600000    
 N   -2.544800      -4.536800     -0.4601000    
 C   3.0000001E-04   0.000000     -6.0199998E-02
 C    2.774200      0.1302000     -0.2067000    
 C   -1.499900       2.336800     -0.2067000    
 C   -1.274200      -2.466900     -0.2067000    
 C    4.096200      0.7998000      0.1471000    
 C   -2.741000       3.146700      0.1471000    
 C   -1.355600      -3.946700      0.1471000    
 H   3.0000001E-04 -9.9999997E-05  -1.154400    
 H    2.635700      0.1109000      -1.293300    
 H    2.801700     -0.9001000      0.1581000    
 H   -1.413900       2.226500      -1.293300    
 H  -0.6214000       2.876000      0.1580000    
 H   -1.222900      -2.338900      -1.293600    
 H   -2.180200      -1.975700      0.1583000    
 H    4.121900       1.833300     -0.2161000    
 H    4.246400      0.8238000       1.232200    
 H   -3.648800       2.652000     -0.2160000    
 H   -2.836800       3.264700       1.232300    
 H  -0.4734000      -4.481600     -0.2222000    
 H   -1.405800      -4.085900       1.233100    
 H    5.072100      2.4000000E-02  -1.470400    
 H    5.190500     -0.9014000     -0.1367000    
 H   -2.557200       4.379900      -1.470300    
 H   -1.815300       4.945200     -0.1365000    
 H   -3.379400      -4.075300     -0.1004000    
 H   -2.616700      -5.514300     -0.1806000    


%chk=000031564-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031564

0 1
S 1.493544 1.010867 0.838929
S -1.582130 0.684834 0.840202
S 0.241400 -1.812380 0.829677
N 5.356074 0.116716 -0.571861
N -2.816161 4.450285 -0.570663
N -2.604626 -4.534444 -0.512995
C 0.049405 -0.035425 0.228816
C 2.850368 0.363527 -0.342929
C -1.695476 2.196880 -0.323835
C -1.013378 -2.666144 -0.326371
C 4.251581 0.580110 0.283541
C -2.665433 3.250865 0.268614
C -1.643301 -3.877093 0.390632
H 0.048637 -0.030884 -0.873975
H 2.758601 0.893276 -1.308156
H 2.651848 -0.714290 -0.486027
H -2.039376 1.852130 -1.315773
H -0.673325 2.609423 -0.403892
H -0.506620 -2.985042 -1.250705
H -1.785385 -1.910431 -0.559420
H 4.404673 1.653442 0.503246
H 4.300470 0.048133 1.250669
H -3.664546 2.800443 0.419205
H -2.301566 3.556649 1.266193
H -0.851709 -4.608202 0.640219
H -2.081313 -3.531993 1.354232
H 5.487151 0.641859 -1.440355
H 5.402127 -0.896207 -0.710413
H -3.278997 4.300200 -1.470858
H -1.980000 5.035264 -0.646979
H -3.491513 -4.039655 -0.634535
H -2.724222 -5.539713 -0.376134


