%chk=000044819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044819

0 1
 S    8.324200     -0.3942000     -7.3600002E-02
 S   -8.319600      0.3939000     -5.5700000E-02
 N    4.357000      0.4482000      2.2100000E-02
 N   -4.352900     -0.4557000      1.1700000E-02
 C   0.6241000     -0.4040000      4.4199999E-02
 C  -0.6515000      0.4413000      2.6000001E-02
 C    1.907700      0.4319000      6.6699997E-02
 C   -1.902100     -0.4419000      3.5399999E-02
 C    3.179500     -0.4135000      6.6999998E-03
 C   -3.174400      0.4022000     -1.9099999E-02
 C    5.578100     -0.3413000     -4.5299999E-02
 C   -5.573600      0.3359000     -5.0299998E-02
 C    6.792100      0.5777000      1.0100000E-02
 C   -6.788700     -0.5804000      2.1199999E-02
 H   0.6125000      -1.062400      0.9217000    
 H   0.6356000      -1.054500     -0.8393000    
 H  -0.6632000       1.106100      0.8981000    
 H  -0.6542000       1.077900     -0.8671000    
 H    1.893700       1.126500     -0.7833000    
 H    1.914600       1.046100      0.9764000    
 H   -1.875000      -1.125700     -0.8224000    
 H   -1.902500      -1.060600      0.9418000    
 H    3.166000      -1.015400     -0.9099000    
 H    3.197600      -1.100600      0.8613000    
 H   -3.187500       1.094300      0.8318000    
 H   -3.169100      0.9997000     -0.9387000    
 H    4.356700       1.014400      0.8701000    
 H   -4.347000      -1.017100      0.8629000    
 H    5.592500     -0.9171000     -0.9792000    
 H    5.611500      -1.049800      0.7922000    
 H   -5.594700      0.9058000     -0.9876000    
 H   -5.598500       1.049700      0.7830000    
 H    6.804000       1.156200      0.9401000    
 H    6.786000       1.283900     -0.8272000    
 H   -6.793700      -1.152900      0.9550000    
 H   -6.790900      -1.291900     -0.8115000    
 H    9.167900      0.6461000     -6.6999998E-03
 H   -9.164600     -0.6444000      2.5000000E-02


%chk=000044819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044819

0 1
S 8.498324 -0.352128 -0.110888
S -8.498923 0.348202 -0.114289
N 4.428068 0.377706 0.114274
N -4.427986 -0.376039 0.115827
C 0.638734 -0.432970 0.113458
C -0.638969 0.436239 0.111170
C 1.937792 0.403254 0.112967
C -1.937828 -0.400319 0.114470
C 3.210545 -0.465361 0.101851
C -3.210975 0.467658 0.098363
C 5.706179 -0.363730 0.075758
C -5.706664 0.364096 0.071749
C 6.862225 0.620824 -0.162827
C -6.861834 -0.623402 -0.158904
H 0.626678 -1.099107 1.001506
H 0.629070 -1.098051 -0.774950
H -0.627235 1.106674 0.995970
H -0.629171 1.096957 -0.780481
H 1.960301 1.072957 -0.768517
H 1.948378 1.059763 1.009668
H -1.959763 -1.074582 -0.763533
H -1.948512 -1.052187 1.014549
H 3.229966 -1.077124 -0.822114
H 3.173402 -1.184179 0.960390
H -3.174156 1.191508 0.952667
H -3.230789 1.073968 -0.829180
H 4.405334 1.048174 0.896625
H -4.405164 -1.041328 0.902585
H 5.661793 -1.082233 -0.764304
H 5.904697 -0.959450 1.001666
H -5.663034 1.076084 -0.773876
H -5.905568 0.966776 0.993061
H 6.891624 1.393876 0.624930
H 6.750837 1.101317 -1.147002
H -6.890244 -1.390220 0.634951
H -6.750122 -1.111524 -1.139281
H 9.309486 0.696407 -0.512897
H -9.308895 -0.704105 -0.508812


