%chk=000081406.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081406

0 1
 N   -3.007200      0.4361000     -7.8699999E-02
 N   -5.732200     -0.5117000      0.1983000    
 N   0.7153000      0.1890000      2.3000000E-02
 N    3.729200      0.8462000     -0.8403000    
 C   -3.318200     -0.9992000     -8.7600000E-02
 C   -3.991100       1.172900      0.7247000    
 C   -1.652100      0.6709000      0.4156000    
 C   -4.741600      -1.241900     -0.5959000    
 C   -5.410400      0.9171000      0.2119000    
 C  -0.6386000     -5.9999999E-02 -0.4599000    
 C    1.698000     -0.4721000     -0.8236000    
 C    3.104100     -0.2361000     -0.3403000    
 C    3.654800      -1.120800      0.5633000    
 C    4.955100     -0.8745000      0.9898000    
 C    4.991600       1.053100     -0.4028000    
 C    5.643100      0.2311000      0.5023000    
 H   -3.199300      -1.437200      0.9124000    
 H   -2.677000      -1.553500     -0.7783000    
 H   -3.790000       2.249200      0.6636000    
 H   -3.925000      0.8865000       1.783100    
 H   -1.437100       1.747100      0.3872000    
 H   -1.551200      0.3464000       1.460200    
 H   -4.823300     -0.9532000      -1.651600    
 H   -4.966600      -2.312800     -0.5394000    
 H   -6.125800       1.433000      0.8618000    
 H   -5.531800       1.337400     -0.7946000    
 H   -6.659100     -0.6485000     -0.2035000    
 H  -0.7819000      -1.143000     -0.4210000    
 H  -0.7403000      0.2686000      -1.501900    
 H   0.8920000       1.193600      3.0700000E-02
 H    1.621100     -0.1007000      -1.853900    
 H    1.509900      -1.552700     -0.8667000    
 H    3.108400      -1.979100      0.9382000    
 H    5.431400      -1.542600       1.701100    
 H    5.484500       1.928400     -0.8128000    
 H    6.657400      0.4426000      0.8210000    


%chk=000081406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081406

0 1
N -3.046705 0.217313 0.039399
N -5.831826 -0.493678 0.158358
N 0.747520 0.227466 -0.144111
N 4.244557 0.085530 -1.345240
C -3.503824 -1.161724 -0.279702
C -3.968298 0.856565 1.016532
C -1.638973 0.267535 0.501813
C -4.940546 -1.135849 -0.832370
C -5.402891 0.889420 0.460760
C -0.626226 -0.051929 -0.617291
C 1.818937 -0.164754 -1.082117
C 3.206017 -0.059717 -0.461611
C 3.407014 -0.134122 0.939793
C 4.722579 -0.054062 1.447793
C 5.509481 0.152727 -0.838459
C 5.800315 0.092389 0.543941
H -3.477977 -1.816671 0.628338
H -2.833505 -1.599534 -1.040735
H -3.619942 1.889719 1.204743
H -3.978997 0.306541 1.991569
H -1.447501 1.300380 0.858593
H -1.446647 -0.415169 1.367162
H -4.923993 -0.596031 -1.811331
H -5.283598 -2.171577 -1.011188
H -6.081307 1.322310 1.218907
H -5.411790 1.551650 -0.440093
H -6.824553 -0.555884 -0.100125
H -0.670258 -1.125408 -0.884661
H -0.915113 0.525938 -1.527801
H 0.849435 1.211105 0.145691
H 1.832969 0.413044 -2.035501
H 1.644112 -1.222327 -1.369050
H 2.534967 -0.256966 1.588439
H 4.904404 -0.108209 2.526929
H 6.313016 0.264043 -1.576383
H 6.835247 0.159537 0.894413


