%chk=000116979.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116979

0 1
 O   -2.092500      -2.333600     -0.1314000    
 O    2.063300       2.224700      0.3560000    
 N   -1.810200     -3.5799999E-02 -0.1668000    
 N    1.877100     -6.2700003E-02  0.5466000    
 N   -4.575100      0.1156000     -0.4248000    
 N    4.652100     -0.3568000      6.3500002E-02
 C   -3.833800       1.380300     -0.4545000    
 C    3.726600      -1.395300     -0.3898000    
 C   -4.029900     -0.9798000      0.3762000    
 C    4.122800       1.007700      0.2097000    
 C   -2.398900       1.269600      8.9000002E-02
 C    2.513300      -1.367900      0.5356000    
 C  -0.3829000     -8.7600000E-02 -0.4424000    
 C   0.4488000     -3.1199999E-02  0.8280000    
 C   -2.560300      -1.199300     -1.3000000E-02
 C    2.597400       1.109300      0.3663000    
 C   -3.788600       1.798000      -1.936800    
 C   -4.600200       2.457600      0.3311000    
 C    3.331600      -1.226400      -1.866200    
 C    4.441900      -2.751700     -0.2427000    
 C   -4.180800     -0.7607000       1.886900    
 C   -4.842500      -2.233000     -5.7999999E-03
 C    4.742800       1.617300       1.483400    
 C    4.578000       1.841600     -0.9978000    
 H   -1.764200       2.045600     -0.3563000    
 H   -2.361300       1.424100       1.172800    
 H    1.780100      -2.117900      0.2140000    
 H    2.789100      -1.598100       1.572700    
 H   -4.748100     -0.2160000      -1.373800    
 H    5.508500     -0.3636000     -0.4884000    
 H  -0.1620000      -1.018100     -0.9791000    
 H  -0.1244000      0.7298000      -1.125900    
 H   0.2216000      0.8936000       1.371800    
 H   0.1991000     -0.8577000       1.504400    
 H   -3.289800       2.767100      -2.056400    
 H   -3.239000       1.070700      -2.546500    
 H   -4.795200       1.899800      -2.360900    
 H   -4.087300       3.424600      0.2749000    
 H   -5.612800       2.596300     -6.5499999E-02
 H   -4.694300       2.192300       1.389800    
 H    2.744300     -0.3217000      -2.049100    
 H    4.217100      -1.185600      -2.511100    
 H    2.720100      -2.072200      -2.202400    
 H    5.332600      -2.806200     -0.8799000    
 H    4.762600      -2.925800      0.7915000    
 H    3.780000      -3.578700     -0.5246000    
 H   -3.612500      9.3500003E-02   2.260800    
 H   -5.230600     -0.6036000       2.160500    
 H   -3.820400      -1.635600       2.441100    
 H   -4.519200      -3.107400      0.5717000    
 H   -5.912900      -2.091400      0.1859000    
 H   -4.720900      -2.488400      -1.065900    
 H    5.838300       1.609600       1.440200    
 H    4.436700       1.059000       2.376400    
 H    4.424400       2.656600       1.627100    
 H    5.667800       1.820100      -1.117900    
 H    4.288200       2.893400     -0.8858000    
 H    4.129900       1.491100      -1.932600    


%chk=000116979-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116979

0 1
O -1.988728 -2.318431 -0.073074
O 1.949580 2.161978 0.436862
N -1.821913 0.004609 -0.044089
N 1.919193 -0.146612 0.638658
N -4.598685 0.198173 -0.397272
N 4.643277 -0.351322 0.067509
C -3.824311 1.480712 -0.427666
C 3.779467 -1.472531 -0.378612
C -4.066964 -0.991346 0.334949
C 4.099080 1.032990 0.127203
C -2.453110 1.294341 0.294904
C 2.575647 -1.473218 0.591555
C -0.378517 -0.050364 -0.334750
C 0.477621 -0.096695 0.958551
C -2.540466 -1.179111 0.069300
C 2.574469 1.048961 0.405346
C -3.575418 1.874894 -1.906984
C -4.614187 2.601328 0.295684
C 3.284927 -1.381586 -1.856217
C 4.580052 -2.780599 -0.186692
C -4.318684 -0.874972 1.865479
C -4.813205 -2.236212 -0.195088
C 4.776351 1.767108 1.321848
C 4.363962 1.851871 -1.174480
H -1.765617 2.104692 -0.004502
H -2.598493 1.386868 1.389476
H 1.824278 -2.215930 0.264872
H 2.930009 -1.756442 1.602726
H -4.900508 -0.073907 -1.340772
H 5.583154 -0.375322 -0.347850
H -0.189565 -0.958195 -0.933472
H -0.094509 0.844548 -0.916266
H 0.285927 0.809254 1.559175
H 0.211828 -0.992379 1.546920
H -3.117921 2.878262 -1.978943
H -2.904413 1.146346 -2.398677
H -4.530751 1.902711 -2.465121
H -4.033199 3.542984 0.345519
H -5.559781 2.801776 -0.237899
H -4.869616 2.286828 1.322845
H 2.608181 -0.522698 -2.009149
H 4.145473 -1.269949 -2.541255
H 2.736964 -2.299144 -2.142286
H 5.445488 -2.811545 -0.875830
H 4.960167 -2.849852 0.847460
H 3.952301 -3.664771 -0.399266
H -3.800404 -0.014136 2.321138
H -5.401762 -0.748656 2.038241
H -3.973206 -1.791456 2.376759
H -4.419037 -3.145991 0.283222
H -5.892096 -2.141053 0.020174
H -4.671748 -2.353235 -1.285754
H 5.870052 1.805792 1.161341
H 4.587508 1.223195 2.263018
H 4.388255 2.795971 1.410858
H 5.455071 1.961493 -1.325486
H 3.915164 2.855620 -1.087973
H 3.938871 1.353457 -2.062363


