%chk=000114828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114828

0 1
 O   -2.709100      -1.055300      0.9529000    
 O   -3.023900       1.708700       2.004400    
 N  -0.4289000      -2.504900     -0.1795000    
 N    4.661200      0.3737000       1.151800    
 N   -3.698900      0.5177000     -0.4489000    
 C   0.8101000      -1.700100     -0.3615000    
 C   0.5302000     -0.2220000     -0.7649000    
 C    1.703200      -1.827600      0.9286000    
 C   -1.845700     -0.7684000      -1.254900    
 C   -1.410700      -2.236400      -1.243400    
 C    2.819100     -0.8451000      0.9047000    
 C    1.663400      0.7294000     -0.7166000    
 C    2.711400      0.3185000      0.1156000    
 C  -0.6971000      0.1816000      -1.135500    
 C    3.860000       1.075400      0.2773000    
 C  -0.1555000      -3.944700     -0.1248000    
 C    4.037300     -0.7923000       1.540000    
 C   -2.778500     -0.4630000     -0.1208000    
 C    1.820300       1.948900      -1.386800    
 C    4.031300       2.293300     -0.3823000    
 C    2.984400       2.712300      -1.218200    
 C   -4.722300      0.9777000      0.4617000    
 C   -4.198400       2.128000       1.318800    
 C   -5.962700       1.394600     -0.3178000    
 H    1.382100      -2.122700      -1.203100    
 H    2.122300      -2.836900       1.007000    
 H    1.095200      -1.645300       1.824400    
 H   -2.357600     -0.5864000      -2.208600    
 H   -2.299200      -2.866000      -1.101400    
 H  -0.9856000      -2.500900      -2.221800    
 H  -0.8957000       1.218700      -1.392400    
 H   -1.088800      -4.509900     -1.7800000E-02
 H   0.4475000      -4.206900      0.7493000    
 H   0.3572000      -4.301100      -1.025300    
 H    4.520700      -1.466800       2.232600    
 H    1.049100       2.320200      -2.056700    
 H    5.573500      0.6723000       1.467800    
 H    4.928000       2.890000     -0.2596000    
 H    3.081300       3.654900      -1.752400    
 H   -3.621200      0.9871000      -1.346800    
 H   -4.978800      0.1375000       1.118800    
 H   -3.929300       2.991800      0.7018000    
 H   -4.940000       2.449300       2.057300    
 H   -6.341500      0.5611000     -0.9196000    
 H   -5.745200       2.222500      -1.001900    
 H   -6.761200       1.713200      0.3602000    
 H   -3.268200      0.9561000       2.569700    


%chk=000114828-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114828

0 1
O -4.258486 -1.242940 -1.301060
O -5.970938 -0.595450 0.685021
N -0.665312 -2.129529 0.143074
N 4.255205 1.321191 1.030428
N -2.981181 0.386467 -0.220780
C 0.605897 -1.392273 -0.089454
C 0.412886 -0.261611 -1.130903
C 1.185696 -0.875036 1.276303
C -1.861882 -1.158964 -1.801838
C -1.363921 -2.457202 -1.122314
C 2.374558 0.020413 1.038068
C 1.561086 0.665968 -1.293320
C 2.468515 0.721556 -0.209793
C -0.731810 -0.158396 -1.872033
C 3.637251 1.538421 -0.209130
C -0.508027 -3.321820 1.003738
C 3.489161 0.399220 1.783388
C -3.139402 -0.657430 -1.086662
C 1.867463 1.477554 -2.411795
C 3.937430 2.353013 -1.324619
C 3.031069 2.302854 -2.412341
C -4.061522 1.037607 0.569564
C -4.885046 0.026860 1.423539
C -3.411415 2.125321 1.446986
H 1.385177 -2.078693 -0.523649
H 1.459317 -1.736423 1.910117
H 0.371226 -0.332258 1.798276
H -2.199530 -1.416220 -2.824750
H -2.226431 -3.108028 -0.897887
H -0.700357 -3.003300 -1.839069
H -0.839904 0.670505 -2.584092
H -1.483194 -3.830499 1.092345
H -0.193836 -3.033402 2.020027
H 0.233768 -4.058512 0.604508
H 3.807226 0.102061 2.781234
H 1.231259 1.459708 -3.303617
H 5.120030 1.753191 1.347205
H 4.824098 2.994613 -1.366157
H 3.239772 2.914811 -3.297259
H -2.020086 0.719827 -0.093819
H -4.778530 1.502879 -0.137550
H -4.186523 -0.722100 1.860923
H -5.370013 0.577291 2.249418
H -2.794597 2.818239 0.845015
H -2.769672 1.672519 2.226762
H -4.190287 2.721330 1.951747
H -5.561389 -0.981534 -0.152398


