%chk=000129276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129276

0 1
 O    6.463300       1.616900     -7.7000000E-02
 N    5.373700     -0.1674000      0.2025000    
 N    5.444900       1.000000     -0.4117000    
 C  -0.9323000     -0.5668000     -2.9100001E-02
 C   -2.146600      0.3204000      0.2535000    
 C   0.4055000      0.1259000      0.2461000    
 C   -3.451000     -0.3949000     -0.1066000    
 C    1.619100     -0.7695000     -1.2900000E-02
 C   -4.668800      0.4781000      0.2052000    
 C    2.927500     -2.1000000E-02  0.2553000    
 C   -5.970000     -0.2258000     -0.1862000    
 C    4.139000     -0.9043000     -3.9000001E-02
 C   -7.222200      0.5934000      0.1338000    
 C   -8.513900     -7.0200004E-02 -0.3178000    
 C    6.531800      -1.014800     -0.1160000    
 H  -0.9993000      -1.475300      0.5824000    
 H  -0.9550000     -0.8892000      -1.077600    
 H   -2.065600       1.248500     -0.3250000    
 H   -2.155700      0.5994000       1.314000    
 H   0.4243000      0.4658000       1.289100    
 H   0.4761000       1.023800     -0.3804000    
 H   -3.445300     -0.6519000      -1.172800    
 H   -3.521800      -1.335600      0.4529000    
 H    1.563000      -1.658100      0.6271000    
 H    1.598900      -1.117100      -1.053000    
 H   -4.591100       1.428800     -0.3358000    
 H   -4.687700      0.7150000       1.275700    
 H    2.927600      0.8798000     -0.3707000    
 H    2.949800      0.3093000       1.301900    
 H   -6.032900      -1.190500      0.3323000    
 H   -5.950100     -0.4454000      -1.261000    
 H    4.087500      -1.259700      -1.077700    
 H    4.099000      -1.787600      0.6110000    
 H   -7.145700       1.575700     -0.3474000    
 H   -7.272400      0.7723000       1.214400    
 H   -8.643700      -1.041800      0.1692000    
 H   -9.373500      0.5572000     -6.2700003E-02
 H   -8.514600     -0.2261000      -1.401200    
 H    6.601300      -1.238200      -1.188300    
 H    6.464300      -1.968400      0.4220000    
 H    7.478600     -0.5630000      0.2057000    


%chk=000129276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129276

0 1
O 6.696168 1.509401 0.716453
N 5.500305 -0.303644 0.103817
N 5.521533 1.020688 0.514497
C -0.926429 -0.545229 -0.171682
C -2.164635 0.336960 0.104263
C 0.412462 0.177176 0.098389
C -3.502887 -0.388834 -0.161116
C 1.647048 -0.714518 -0.162948
C -4.743586 0.486311 0.126690
C 2.980340 0.016781 0.113587
C -6.080913 -0.243810 -0.131857
C 4.178149 -0.916463 -0.145343
C -7.322970 0.628071 0.162333
C -8.653790 -0.112613 -0.092152
C 6.722514 -1.100643 -0.091746
H -0.982115 -1.459460 0.456099
H -0.950773 -0.891074 -1.226540
H -2.112388 1.250785 -0.523978
H -2.139466 0.683783 1.158639
H 0.432681 0.530893 1.150142
H 0.474380 1.085641 -0.535944
H -3.531887 -0.729525 -1.217514
H -3.550468 -1.306716 0.461943
H 1.579189 -1.622423 0.473036
H 1.624024 -1.067641 -1.215596
H -4.699750 1.402717 -0.498680
H -4.712580 0.829663 1.182167
H 3.060298 0.916184 -0.523782
H 3.006368 0.377105 1.158335
H -6.123806 -1.161988 0.491137
H -6.115677 -0.584303 -1.188194
H 4.155864 -1.269884 -1.198032
H 4.092668 -1.818858 0.496273
H -7.282110 1.543291 -0.463236
H -7.285163 0.971307 1.216544
H -8.733401 -1.013398 0.545522
H -9.525573 0.532367 0.123455
H -8.728774 -0.441288 -1.146093
H 6.790442 -1.455869 -1.136403
H 6.728539 -1.974736 0.585218
H 7.582166 -0.448505 0.136493


