%chk=000026586.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026586

0 1
 O   -2.162100       1.000600      6.1500002E-02
 N    3.876100      -1.603500      0.8244000    
 N    3.099800       2.540500      4.1800000E-02
 C    3.033300      -1.123600     -0.2888000    
 C    3.810300      -1.489600      -1.564500    
 C    5.074300      -2.179400      -1.072600    
 C    4.679500      -2.705400      0.2929000    
 C    2.774300      0.3540000     -0.1472000    
 C    1.503200      0.9850000     -5.0900001E-02
 C    3.109600      -2.002300       1.998200    
 C    3.736100       1.335100     -8.7399997E-02
 C    1.735600       2.357000      6.6799998E-02
 C   0.1731000      0.5202000     -5.2499998E-02
 C   0.7001000       3.291200      0.1834000    
 C  -0.8729000       1.443000      6.3500002E-02
 C  -0.6111000       2.806800      0.1795000    
 C   -2.363700     -0.4057000     -6.0100000E-02
 C   -3.842600     -0.6380000     -6.2399998E-02
 C   -4.511300     -0.8519000       1.139700    
 C   -4.540800     -0.6392000      -1.266700    
 C   -5.889200      -1.068600       1.137400    
 C   -5.918800     -0.8558000      -1.268900    
 C   -6.592900      -1.070500     -6.6900000E-02
 H    2.083000      -1.672900     -0.3146000    
 H    4.050800     -0.6386000      -2.210300    
 H    3.221200      -2.199500      -2.158700    
 H    5.402800      -2.973500      -1.749600    
 H    5.887700      -1.448900     -0.9817000    
 H    4.091800      -3.626200      0.1880000    
 H    5.556100      -2.911900      0.9146000    
 H    3.782000      -2.337000       2.795700    
 H    2.406300      -2.813900       1.779900    
 H    2.542300      -1.155000       2.397900    
 H    4.815600       1.288000     -0.1254000    
 H    3.563700       3.435900      0.1089000    
 H   2.7899999E-02 -0.5487000     -0.1429000    
 H   0.9030000       4.353100      0.2737000    
 H   -1.434800       3.511300      0.2685000    
 H   -1.918100     -0.9441000      0.7866000    
 H   -1.945900     -0.7877000      -1.000900    
 H   -3.974300     -0.8503000       2.084400    
 H   -4.027200     -0.4707000      -2.209300    
 H   -6.414400      -1.235200       2.073400    
 H   -6.467000     -0.8566000      -2.206400    
 H   -7.665900      -1.238800     -6.8599999E-02


%chk=000026586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026586

0 1
O -2.242825 0.941865 0.033903
N 4.430390 -1.498444 0.665578
N 3.077176 2.626818 0.379538
C 3.171035 -1.095084 -0.029007
C 3.452265 -1.519789 -1.505603
C 4.451245 -2.717207 -1.405406
C 4.780384 -2.828475 0.108101
C 2.841560 0.364425 0.151580
C 1.521077 0.967024 0.165464
C 4.363477 -1.472166 2.136300
C 3.761362 1.407803 0.282325
C 1.697974 2.386852 0.310269
C 0.205258 0.430874 0.067112
C 0.601023 3.276682 0.362027
C -0.883975 1.324357 0.119044
C -0.689976 2.733389 0.265284
C -2.517169 -0.503787 -0.128507
C -4.013743 -0.686778 -0.227334
C -4.786557 -0.942826 0.932392
C -4.666308 -0.593491 -1.482025
C -6.187633 -1.101916 0.842113
C -6.066811 -0.751101 -1.577118
C -6.830565 -1.007129 -0.414139
H 2.307470 -1.704638 0.354219
H 3.908485 -0.670149 -2.040411
H 2.516395 -1.783021 -2.028569
H 4.016688 -3.658309 -1.785485
H 5.361073 -2.508948 -1.993589
H 4.160521 -3.637946 0.575344
H 5.841579 -3.064457 0.306622
H 5.350883 -1.730282 2.559716
H 3.610774 -2.191972 2.549599
H 4.092811 -0.459124 2.479406
H 4.847028 1.350735 0.320054
H 3.511830 3.538336 0.500414
H 0.061101 -0.647537 -0.044603
H 0.738955 4.357969 0.472343
H -1.578426 3.371025 0.297792
H -2.103382 -1.051376 0.743602
H -2.008958 -0.865616 -1.046494
H -4.288945 -1.010555 1.907415
H -4.074825 -0.389571 -2.382764
H -6.775262 -1.299366 1.745588
H -6.561025 -0.676230 -2.552179
H -7.916933 -1.132164 -0.486510


