%chk=000078769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078769

0 1
 O    3.480100      0.4183000      -1.003300    
 O   -3.480600      0.4182000       1.003800    
 N    3.584700      0.4307000       1.260700    
 N   -3.583900      0.4311000      -1.260200    
 C   0.7060000     -0.9173000      4.7800001E-02
 C  -0.7061000     -0.9171000     -4.6900000E-02
 C    1.391400      0.3078000      9.4099998E-02
 C   -1.391200      0.3079000     -9.2500001E-02
 C   0.6944000       1.515400      4.7699999E-02
 C  -0.6942000       1.515500     -4.5400001E-02
 C    2.835500      0.3864000      0.1906000    
 C   -2.835300      0.3866000     -0.1897000    
 C    1.391100      -2.142300      9.3400002E-02
 C   -1.391500      -2.142000     -9.3199998E-02
 C   0.6940000      -3.349900      4.6200000E-02
 C  -0.6946000      -3.349900     -4.6900000E-02
 C    4.795300      0.4904000     -0.6431000    
 C   -4.795600      0.4904000      0.6428000    
 C    4.855300      0.4980000      0.7426000    
 C   -4.854800      0.4983000     -0.7429000    
 C    5.900000      0.5479000      -1.483800    
 C   -5.900800      0.5477000       1.482800    
 C    6.109300      0.5683000       1.366200    
 C   -6.108500      0.5687000      -1.367300    
 C    7.143300      0.6176000     -0.8461000    
 C   -7.143700      0.6175000      0.8443000    
 C    7.248500      0.6278000      0.5504000    
 C   -7.248000      0.6278000     -0.5521000    
 H    1.219400       2.467400      8.2999997E-02
 H   -1.219200       2.467600     -8.0499999E-02
 H    2.474800      -2.193000      0.1660000    
 H   -2.475300      -2.192300     -0.1657000    
 H    1.235600      -4.290700      8.2199998E-02
 H   -1.236300      -4.290600     -8.3499998E-02
 H    5.807700      0.5396000      -2.562600    
 H   -5.809300      0.5392000       2.561600    
 H    6.202500      0.5769000       2.447100    
 H   -6.201100      0.5774000      -2.448200    
 H    8.047600      0.6650000      -1.448200    
 H   -8.048400      0.6647000       1.445800    
 H    8.231500      0.6828000       1.011600    
 H   -8.230800      0.6829000      -1.013900    


%chk=000078769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078769

0 1
O 3.795080 -0.736692 -0.073879
O -3.795037 -0.736619 0.078687
N 3.538294 1.565004 -0.064054
N -3.538441 1.565033 0.058416
C 0.731074 -1.055517 -0.015885
C -0.731234 -1.055504 0.011185
C 1.440926 0.210934 -0.028373
C -1.441033 0.210959 0.025289
C 0.702392 1.415359 -0.014419
C -0.702474 1.415371 0.011721
C 2.895484 0.394118 -0.054772
C -2.895564 0.394159 0.052841
C 1.411974 -2.320840 -0.029200
C -1.412204 -2.320812 0.022086
C 0.711946 -3.527474 -0.017536
C -0.712242 -3.527460 0.008099
C 5.081448 -0.155824 -0.096223
C -5.081392 -0.155744 0.101184
C 4.915061 1.258647 -0.089945
C -4.915123 1.258699 0.088476
C 6.324211 -0.797505 -0.120569
C -6.324058 -0.797389 0.130903
C 6.049639 2.099079 -0.108722
C -6.049722 2.099133 0.105951
C 7.452999 0.057604 -0.139250
C -7.452865 0.057723 0.148239
C 7.316684 1.476317 -0.133380
C -7.316668 1.476406 0.135916
H 1.253375 2.359486 -0.024247
H -1.253429 2.359507 0.022303
H 2.500797 -2.332550 -0.048942
H -2.501028 -2.332502 0.041846
H 1.260967 -4.475422 -0.028291
H -1.261319 -4.475396 0.016886
H 6.421303 -1.886151 -0.124860
H -6.421066 -1.886011 0.140156
H 5.940378 3.187026 -0.104176
H -5.940544 3.187057 0.096491
H 8.455122 -0.383559 -0.158720
H -8.454912 -0.383420 0.171737
H 8.219686 2.095690 -0.148431
H -8.219683 2.095781 0.150162


