%chk=000008685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008685

0 1
 S    1.319300       2.681400      0.8421000    
 S   -1.170400       2.890100     -0.7405000    
 N  -1.4100000E-02  0.4802000     -3.9200000E-02
 C   -1.052700     -0.3046000     -0.6958000    
 C    1.004600     -0.3302000      0.6413000    
 C   -2.206300     -0.5717000      0.2696000    
 C    2.189900     -0.5830000     -0.2889000    
 C   -3.317400      -1.376200     -0.4061000    
 C    3.272900      -1.407900      0.4077000    
 C  -1.2900000E-02   1.892400     -2.5599999E-02
 C   -4.453600      -1.676600      0.5584000    
 C    4.440600      -1.694000     -0.5230000    
 H  -0.6220000      -1.246300      -1.056900    
 H   -1.419400      0.2229000      -1.581900    
 H   0.5570000      -1.283100      0.9492000    
 H    1.331900      0.1537000       1.565800    
 H   -2.617200      0.3717000      0.6475000    
 H   -1.839300      -1.120900       1.145400    
 H    2.618600      0.3640000     -0.6363000    
 H    1.847400      -1.113000      -1.186500    
 H   -2.913200      -2.320400     -0.7890000    
 H   -3.710800     -0.8190000      -1.264300    
 H    2.851200      -2.357700      0.7562000    
 H    3.638800     -0.8709000       1.290600    
 H   -5.236900      -2.251200      5.4299999E-02
 H   -4.098900      -2.262500       1.412400    
 H   -4.901000     -0.7522000      0.9375000    
 H    5.203000      -2.283500     -4.4000000E-03
 H    4.113000      -2.259400      -1.401300    
 H    4.905300     -0.7642000     -0.8663000    
 H   0.9315000       3.944400      0.6125000    


%chk=000008685-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008685

0 1
S 1.395197 2.699927 0.833437
S -1.294194 2.831735 -0.719723
N -0.009331 0.519646 0.009701
C -1.082517 -0.273733 -0.650568
C 1.077347 -0.263859 0.655532
C -2.264961 -0.577889 0.296194
C 2.248756 -0.587003 -0.301677
C -3.375351 -1.382101 -0.417722
C 3.354274 -1.407374 0.401901
C -0.059677 1.885479 -0.008221
C -4.560410 -1.709171 0.516103
C 4.522033 -1.756547 -0.545643
H -0.623797 -1.213273 -1.013741
H -1.443671 0.301854 -1.521003
H 0.626487 -1.202042 1.030397
H 1.448386 0.287743 1.539015
H -2.675239 0.381656 0.663296
H -1.905504 -1.142897 1.180398
H 2.673712 0.358607 -0.688485
H 1.867053 -1.151242 -1.176199
H -2.951584 -2.324505 -0.822571
H -3.739387 -0.801225 -1.288688
H 2.918775 -2.341664 0.812502
H 3.739624 -0.833396 1.268711
H -5.343967 -2.282124 -0.012480
H -4.228857 -2.309954 1.383885
H -5.022959 -0.783408 0.905666
H 5.300020 -2.344794 -0.026051
H 4.168374 -2.350748 -1.408998
H 4.998469 -0.840449 -0.941300
H 0.881800 3.965054 0.630833


