%chk=000078489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078489

0 1
 O   8.9999998E-04  0.3452000     -9.8999999E-03
 N   -2.770100     -0.6776000      0.2591000    
 N    2.769500     -0.6776000      0.2589000    
 N   -3.438400       1.380100     -0.2503000    
 N    3.437900       1.380000     -0.2515000    
 C   -2.411700      0.6298000      8.1600003E-02
 C    2.413500      0.6289000      8.0700003E-02
 C   -4.117800     -0.7777000      2.6000001E-02
 C    4.117200     -0.7776000      2.6000001E-02
 C   -1.091000       1.118100      0.2366000    
 C    1.090700       1.118400      0.2366000    
 C   -4.511500      0.5199000     -0.2900000    
 C    4.511000      0.5196000     -0.2907000    
 C  -0.7065000       2.377900      0.6382000    
 C   0.7089000       2.377400      0.6381000    
 C   -1.894500      -1.768700      0.6261000    
 C    1.894000      -1.768300      0.6274000    
 C   -4.999300      -1.858600      6.3100003E-02
 C    4.998800      -1.858600      6.3900001E-02
 C   -5.861000      0.7723000     -0.5892000    
 C    5.860400      0.7718000     -0.5901000    
 C   -6.338600      -1.589200     -0.2376000    
 C    6.338100      -1.589300     -0.2365000    
 C   -6.763800     -0.2979000     -0.5581000    
 C    6.763300     -0.2983000     -0.5581000    
 H   -1.357400       3.200100      0.9015000    
 H    1.360400       3.199200      0.9013000    
 H   -1.278200      -1.459500       1.473900    
 H   -2.481200      -2.639100      0.9262000    
 H   -1.280100      -2.022000     -0.2411000    
 H    2.480900      -2.638300      0.9281000    
 H    1.278100      -1.458400       1.475100    
 H    1.279300      -2.022500     -0.2393000    
 H   -4.677800      -2.864000      0.3083000    
 H    4.677200      -2.863900      0.3098000    
 H   -6.201400       1.772000     -0.8395000    
 H    6.200800       1.771300     -0.8411000    
 H   -7.061600      -2.401100     -0.2218000    
 H    7.061200      -2.401200     -0.2200000    
 H   -7.811400     -0.1198000     -0.7873000    
 H    7.810900     -0.1204000     -0.7873000    


%chk=000078489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078489

0 1
O -0.003128 0.344420 0.033134
N -2.815779 -0.695547 0.353604
N 2.813227 -0.735822 -0.142741
N -3.556389 1.382241 -0.314551
N 3.553014 1.414732 0.230145
C -2.471812 0.631858 0.006166
C 2.467994 0.626238 0.020810
C -4.211472 -0.788635 0.227806
C 4.209769 -0.808218 -0.015407
C -1.139523 1.195444 -0.009139
C 1.136174 1.189277 -0.034576
C -4.653993 0.517401 -0.180388
C 4.651915 0.541469 0.208852
C -0.715341 2.520556 -0.101590
C 0.717074 2.516974 -0.113706
C -1.956123 -1.793870 0.810175
C 1.960221 -1.891546 -0.444727
C -5.105357 -1.859867 0.434457
C 5.103668 -1.897115 -0.081020
C -6.032164 0.763185 -0.388563
C 6.030844 0.814385 0.373597
C -6.475234 -1.592796 0.222890
C 6.474279 -1.602712 0.084428
C -6.930957 -0.302286 -0.182452
C 6.930020 -0.268714 0.308519
H -1.382502 3.377178 -0.153992
H 1.387894 3.370331 -0.171793
H -1.004443 -1.394084 1.184609
H -2.461855 -2.336154 1.627879
H -1.746022 -2.504824 -0.010854
H 2.408960 -2.475072 -1.268046
H 1.856978 -2.547982 0.439589
H 0.963705 -1.549383 -0.751622
H -4.767122 -2.855989 0.738724
H 4.764574 -2.924978 -0.247473
H -6.374063 1.754809 -0.699405
H 6.373246 1.839181 0.544981
H -7.206542 -2.395089 0.370683
H 7.206266 -2.416777 0.041839
H -8.003576 -0.141834 -0.336081
H 8.003278 -0.087985 0.432336


