%chk=000100806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100806

0 1
 O  -0.6549000      0.6756000      -1.571500    
 N    1.976100      0.5809000     -0.1319000    
 N    4.431500     -0.9934000     -0.3717000    
 C    2.176000     -0.6236000      0.6823000    
 C    3.258400       1.232700     -0.4224000    
 C    3.142500      -1.594600     -7.4000000E-03
 C    4.222800      0.2583000      -1.110100    
 C    1.059400       1.508400      0.5280000    
 C    5.299800     -0.8088000      0.7892000    
 C  -0.2936000      0.8953000      0.7639000    
 C   -1.116500      0.5611000     -0.4398000    
 C  -0.8117000      0.7393000       1.991400    
 C   -2.498500      5.9900001E-02 -0.2720000    
 C   -3.541100      0.9665000     -0.2270000    
 C   -2.711300      -1.301800     -0.1652000    
 C   -4.844000      0.4942000     -6.8999998E-02
 C   -4.014300      -1.774100     -7.4000000E-03
 C   -5.080700     -0.8759000      4.0700000E-02
 H    1.235200      -1.168900      0.8192000    
 H    2.550000     -0.3671000       1.682000    
 H    3.714600       1.631600      0.4928000    
 H    3.094300       2.082200      -1.096700    
 H    3.298000      -2.477200      0.6256000    
 H    2.671400      -1.973000     -0.9248000    
 H    3.824900      6.3999998E-03  -2.102400    
 H    5.182200      0.7558000      -1.298900    
 H   0.9195000       2.398600     -9.9799998E-02
 H    1.489100       1.867900       1.473100    
 H    5.490500      -1.770300       1.279000    
 H    4.886800     -0.1236000       1.536200    
 H    6.276400     -0.4221000      0.4769000    
 H  -0.2328000       1.019000       2.867200    
 H   -1.795900      0.3353000       2.193200    
 H   -3.363900       2.034700     -0.3124000    
 H   -1.885400      -2.006400     -0.2022000    
 H   -5.674300       1.193300     -3.1599998E-02
 H   -4.198700      -2.841000      7.8100003E-02
 H   -6.095100      -1.243700      0.1636000    


%chk=000100806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100806

0 1
O -0.953782 2.315613 -0.672969
N 1.831461 0.626614 0.369503
N 3.896475 -1.183486 -0.664950
C 2.243478 -0.560425 1.155539
C 2.938480 1.158595 -0.463870
C 2.792399 -1.657005 0.205061
C 3.473151 0.038643 -1.394038
C 1.138837 1.657964 1.181082
C 5.209315 -1.079733 0.004691
C -0.313586 1.260455 1.386218
C -1.179811 1.376518 0.153559
C -0.829967 0.923732 2.601057
C -2.314590 0.419396 -0.080724
C -3.388200 0.839149 -0.912654
C -2.317191 -0.902586 0.440407
C -4.455137 -0.035117 -1.197465
C -3.380730 -1.782638 0.142757
C -4.454652 -1.349685 -0.669055
H 1.363733 -0.950391 1.701837
H 3.017946 -0.291020 1.921487
H 3.773309 1.563435 0.165472
H 2.545727 1.990312 -1.077147
H 3.142651 -2.526851 0.791613
H 1.962714 -1.990803 -0.447982
H 2.660141 -0.244416 -2.089968
H 4.324320 0.414926 -1.991256
H 1.155491 2.605697 0.612034
H 1.637228 1.834511 2.165136
H 5.476383 -2.064565 0.429907
H 5.272196 -0.327108 0.828048
H 5.976660 -0.817830 -0.746618
H -0.204706 0.938218 3.502339
H -1.885288 0.663020 2.735653
H -3.357299 1.852351 -1.327160
H -1.475852 -1.246300 1.050417
H -5.283700 0.299932 -1.830976
H -3.369584 -2.804992 0.536488
H -5.281320 -2.032632 -0.895274


