%chk=000056774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056774

0 1
 O   0.2949000      0.4853000      0.2046000    
 N   -2.450500      0.1136000     -0.2849000    
 N   -4.489200     -0.8280000      0.4440000    
 N   -4.468100       1.385200     -7.2200000E-02
 N   -3.869900      -2.009600      0.7983000    
 C    1.605300      9.0700001E-02  0.1328000    
 C    1.913400      -1.229900     -0.1801000    
 C    2.619000       1.013400      0.3740000    
 C  -0.2958000      0.9673000     -0.9954000    
 C    3.247200      -1.631700     -0.2523000    
 C    3.952800      0.6116000      0.3016000    
 C    4.266800     -0.7110000     -1.1500000E-02
 C   -1.751700       1.309400     -0.7370000    
 C   0.8361000      -2.230700     -0.4406000    
 C    2.303000       2.433100      0.7117000    
 C   -3.713300      0.2315000      7.1999999E-03
 H   0.2328000       1.862600      -1.340900    
 H  -0.2275000      0.2033000      -1.778800    
 H    3.507600      -2.658100     -0.4971000    
 H    4.758300       1.317900      0.4846000    
 H   -2.197200       1.697400      -1.660200    
 H   -1.797800       2.083000      3.9000001E-02
 H    5.305500      -1.023600     -6.8700001E-02
 H    1.206200      -3.255300     -0.3240000    
 H   8.0000004E-03  -2.114200      0.2666000    
 H   0.4552000      -2.122200      -1.460600    
 H    3.144900       2.919600       1.216800    
 H    2.080300       2.999000     -0.1980000    
 H    1.448700       2.498300       1.393800    
 H   -5.452700     -0.6894000      0.7309000    
 H   -5.452100       1.383400      0.1740000    
 H   -4.076600       2.269100     -0.3770000    
 H   -3.640400      -1.969800       1.790500    
 H   -4.540900      -2.769600      0.6951000    


%chk=000056774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056774

0 1
O 0.405969 0.927721 0.617606
N -2.455233 0.142385 -0.165339
N -4.377492 -1.229603 -0.222384
N -4.670558 1.040281 0.290088
N -3.589967 -2.364158 -0.574429
C 1.626233 0.269420 0.292890
C 1.648921 -1.150222 0.379756
C 2.782455 1.030460 -0.032001
C -0.378868 1.430970 -0.535675
C 2.872624 -1.810544 0.106037
C 3.987090 0.330280 -0.291238
C 4.033849 -1.079819 -0.230463
C -1.849292 1.486083 -0.115609
C 0.401995 -1.914738 0.778499
C 2.732070 2.546867 -0.075465
C -3.755113 0.028067 -0.031776
H -0.017305 2.444600 -0.806967
H -0.259810 0.752002 -1.401557
H 2.910120 -2.905291 0.161542
H 4.892523 0.899518 -0.535127
H -2.376144 2.201497 -0.792810
H -1.877471 1.922850 0.908871
H 4.972682 -1.606308 -0.436191
H 0.257953 -1.877468 1.875808
H -0.503719 -1.461232 0.336395
H 0.478087 -2.976072 0.481990
H 3.734667 2.978568 0.087553
H 2.369829 2.916214 -1.055117
H 2.047820 2.938061 0.697825
H -5.152584 -1.458489 0.404427
H -5.655544 0.944562 0.053832
H -4.336701 1.937248 0.629299
H -2.664730 -2.303361 -0.117923
H -3.472056 -2.398749 -1.596149


