%chk=000042770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042770

0 1
 N    4.149100     -0.4818000       1.451900    
 N   -4.149000     -0.4840000      -1.451200    
 N    4.522400      0.5773000      -1.287300    
 N   -4.523200      0.5787000       1.286600    
 N    6.176700       3.537100      -1.678900    
 N   -6.181100       3.537000       1.674000    
 C    5.578500     -0.3941000       1.194200    
 C   -5.578400     -0.3977000      -1.193300    
 C    5.971300      0.9924000      0.6722000    
 C   -5.972900      0.9891000     -0.6733000    
 C    5.001100       1.586200     -0.3553000    
 C   -5.003300       1.585500      0.3532000    
 C    3.253300     -0.7089000      0.4054000    
 C   -3.252700     -0.7085000     -0.4044000    
 C    3.487400     -0.2882000     -0.9252000    
 C   -3.487100     -0.2861000      0.9256000    
 C   4.6000001E-03  -2.650700      7.9999998E-04
 C    1.211200      -1.837600     -0.3257000    
 C   -1.209200      -1.833600      0.3280000    
 C    2.099100      -1.467600      0.6834000    
 C   -2.097500      -1.466100     -0.6814000    
 C    6.344200     -0.7194000       2.477200    
 C   -6.343900     -0.7259000      -2.475700    
 C    2.587500     -0.6907000      -1.931800    
 C   -2.586500     -0.6860000       1.932800    
 C    1.462000      -1.458700      -1.636900    
 C   -1.460200      -1.453000       1.638700    
 C    5.658900       2.677800      -1.095900    
 C   -5.662300       2.677500       1.092300    
 H    5.863400      -1.154800      0.4546000    
 H   -5.862300      -1.157700     -0.4525000    
 H    6.982400      0.9165000      0.2472000    
 H    6.056700       1.701700       1.507400    
 H   -6.983800      0.9126000     -0.2482000    
 H   -6.059200       1.697100      -1.509600    
 H    4.143900       2.028000      0.1713000    
 H   -4.146600       2.027700     -0.1741000    
 H    3.833700     -0.6791000       2.395400    
 H   -3.833500     -0.6826000      -2.394400    
 H  -0.2222000      -3.330800     -0.8323000    
 H   0.2270000      -3.329600      0.8361000    
 H    4.711800      0.6933000      -2.277300    
 H   -4.712400      0.6960000       2.276500    
 H    1.910800      -1.793900       1.705500    
 H   -1.908900      -1.794000      -1.703000    
 H    6.096300      -1.726200       2.831400    
 H    7.425200     -0.6766000       2.308000    
 H    6.095000     -1.7300000E-02   3.280700    
 H   -6.094800      -1.732800      -2.828500    
 H   -7.424900     -0.6842000      -2.306400    
 H   -6.095700     -2.4599999E-02  -3.280300    
 H    2.748500     -0.3791000      -2.962400    
 H   -2.747800     -0.3731000       2.962900    
 H   0.7862000      -1.740900      -2.439600    
 H  -0.7838000      -1.733600       2.441400    


%chk=000042770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042770

0 1
N 3.305768 0.287260 0.971489
N -3.303117 0.286936 -0.971000
N 4.682617 -0.263593 -1.522311
N -4.685221 -0.259204 1.520978
N 6.011356 2.468511 -3.210362
N -6.017682 2.476158 3.200680
C 4.752403 0.544595 1.193351
C -4.749311 0.543638 -1.196521
C 5.314387 1.527856 0.130825
C -5.313672 1.528877 -0.137110
C 4.700479 1.196691 -1.261761
C -4.702569 1.200568 1.257386
C 2.857439 -0.738819 0.098763
C -2.856769 -0.737661 -0.095504
C 3.550752 -1.028508 -1.126510
C -3.552658 -1.025018 1.128816
C -0.000249 -3.357342 0.006828
C 1.226293 -2.541609 -0.399873
C -1.227133 -2.539994 0.409597
C 1.700776 -1.490416 0.420802
C -1.699611 -1.490098 -0.413858
C 4.965124 1.091913 2.616959
C -4.958957 1.088171 -2.621657
C 3.086768 -2.093578 -1.934684
C -3.090589 -2.088770 1.939843
C 1.949562 -2.850590 -1.576278
C -1.952876 -2.846698 1.585087
C 5.417742 1.900731 -2.344472
C -5.422105 1.906794 2.337177
H 5.302706 -0.412518 1.092175
H -5.299723 -0.413352 -1.094717
H 6.415735 1.439349 0.094829
H 5.059610 2.572449 0.394869
H -6.415076 1.440255 -0.103210
H -5.058529 2.572995 -0.402686
H 3.656206 1.573980 -1.258430
H -3.658316 1.577919 1.255387
H 2.708394 0.445732 1.785729
H -2.704050 0.443780 -1.784323
H -0.262908 -4.028596 -0.836014
H 0.262476 -4.024375 0.853003
H 5.167595 -0.581293 -2.362589
H -5.171458 -0.575045 2.361233
H 1.161924 -1.256533 1.349141
H -1.158802 -1.258014 -1.341500
H 4.679159 0.345421 3.380247
H 6.025858 1.352525 2.777606
H 4.365141 2.008338 2.777251
H -4.671301 0.340195 -3.382850
H -6.019340 1.348458 -2.785125
H -4.358638 2.004301 -2.782394
H 3.612990 -2.312715 -2.872810
H -3.618775 -2.306028 2.877310
H 1.615431 -3.668523 -2.225247
H -1.620250 -3.663506 2.236237


