%chk=000108287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108287

1 1
 S   0.8591000      0.6386000     -0.3458000    
 N    3.455100      0.5289000      0.1481000    
 N   -3.627200       1.693200     -0.6721000    
 C    5.694900      -1.142900     -0.5213000    
 C    5.433100     -0.6985000      0.9186000    
 C    4.393200      -1.194300      -1.322800    
 C    4.693800      0.6331000      0.9761000    
 C    3.646400      0.1337000      -1.279300    
 C    2.289400      0.7660000      0.6371000    
 C   -1.761200       1.054600      0.3115000    
 C  -0.3836000       1.079600      0.8881000    
 C   -2.630300     -5.9400000E-02  0.2828000    
 C   -3.803200      0.3679000     -0.3431000    
 C   -2.387100       2.117300     -0.2763000    
 C   -2.545300      -1.394500      0.7250000    
 C   -4.899900     -0.4764000     -0.5498000    
 C   -3.634600      -2.250500      0.5255000    
 C   -4.792800      -1.796300     -0.1024000    
 H    6.394800     -0.4469000     -0.9997000    
 H    6.170100      -2.130300     -0.5234000    
 H    4.845600      -1.471200       1.431500    
 H    6.384600     -0.6133000       1.455400    
 H    4.617200      -1.455200      -2.363500    
 H    3.754600      -1.993000     -0.9235000    
 H    4.424600      0.8869000       2.006700    
 H    5.295100       1.446900      0.5570000    
 H    4.244900      0.9270000      -1.742600    
 H    2.724400      4.6799999E-02  -1.852800    
 H    2.212600       1.053900       1.697400    
 H  -0.1618000       2.081200       1.274400    
 H  -0.3151000      0.3865000       1.734000    
 H   -2.072700       3.136400     -0.4530000    
 H   -4.314800       2.269000      -1.138000    
 H   -1.649900      -1.765600       1.215400    
 H   -5.801900     -0.1237000      -1.038400    
 H   -3.574700      -3.281300      0.8644000    
 H   -5.626700      -2.478400     -0.2473000    


%chk=000108287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108287

1 1
S 0.851712 0.684937 -0.501006
N 3.546024 0.492166 0.041344
N -3.895064 1.756040 -0.570654
C 5.869932 -1.218615 -0.456777
C 5.479207 -0.792265 0.976597
C 4.627246 -1.257439 -1.374499
C 4.725201 0.555938 0.967445
C 3.879315 0.096312 -1.362837
C 2.309462 0.740263 0.465585
C -1.910822 1.183577 0.385708
C -0.572143 1.304311 0.934975
C -2.746144 -0.013360 0.318367
C -3.988291 0.377771 -0.282222
C -2.660914 2.236045 -0.181940
C -2.563937 -1.364126 0.707489
C -5.050045 -0.523786 -0.498902
C -3.618123 -2.274867 0.494577
C -4.845009 -1.860412 -0.100068
H 6.615566 -0.508729 -0.867149
H 6.354221 -2.210285 -0.436157
H 4.843642 -1.567115 1.446138
H 6.377088 -0.679164 1.610446
H 4.916433 -1.478833 -2.417360
H 3.937082 -2.059510 -1.050943
H 4.368798 0.831424 1.974561
H 5.387145 1.362840 0.598599
H 4.520867 0.895076 -1.782229
H 2.949160 0.052721 -1.952802
H 2.205388 1.006868 1.525862
H -0.235199 2.330546 1.134831
H -0.332771 0.606475 1.750224
H -2.389167 3.282163 -0.313408
H -4.640151 2.317089 -0.983005
H -1.627955 -1.702009 1.165799
H -5.994741 -0.210239 -0.954543
H -3.498675 -3.321982 0.790968
H -5.643641 -2.594024 -0.249116


