%chk=000028702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028702

0 1
 O  -2.9000000E-03   2.078700     -0.2014000    
 N  -0.7150000     -0.1440000      3.8699999E-02
 N   -2.634700       1.211500     -0.1222000    
 N    5.640900     -0.8237000      3.7000000E-02
 C   -2.870900      -1.180100      0.1409000    
 C   -2.126500     -2.6100000E-02  1.8200001E-02
 C    1.634400      0.4341000     -3.9999999E-02
 C   0.2472000      0.8699000     -6.7400001E-02
 C    2.628100       1.299000      0.4179000    
 C    1.971100     -0.8486000     -0.4725000    
 C   -4.255300      -1.053300      0.1172000    
 C    4.295600     -0.4014000      1.1200000E-02
 C   -2.258200      -2.530800      0.2923000    
 C    3.958700      0.8813000      0.4434000    
 C    3.301700      -1.266400     -0.4469000    
 C   -4.830400      0.2045000     -2.5900001E-02
 C   -3.984000       1.295400     -0.1406000    
 H  -0.3726000      -1.085700      0.1934000    
 H    2.386600       2.300600      0.7641000    
 H    1.239900      -1.543500     -0.8747000    
 H   -4.899700      -1.923400      0.2087000    
 H   -1.628200      -2.770600     -0.5708000    
 H   -1.663100      -2.586000       1.210000    
 H   -3.021300      -3.314500      0.3579000    
 H    4.724000       1.564200      0.8037000    
 H    3.553100      -2.265200     -0.7946000    
 H   -5.907200      0.3272000     -4.6999998E-02
 H   -4.382500       2.298200     -0.2543000    
 H    5.885600      -1.753900     -0.2756000    
 H    6.361800     -0.1972000      0.3696000    


%chk=000028702-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028702

0 1
O -0.100959 1.874780 0.801811
N -0.726714 -0.269500 0.045154
N -2.580259 1.058246 -0.627949
N 5.765473 -0.654081 -0.296225
C -2.987560 -1.192766 0.288317
C -2.128718 -0.110227 -0.094562
C 1.648365 0.327934 0.150987
C 0.221573 0.741153 0.350211
C 2.654283 1.054379 0.844296
C 2.058279 -0.721277 -0.716256
C -4.373525 -1.004669 0.089938
C 4.419179 -0.331525 -0.154125
C -2.432691 -2.466632 0.894734
C 4.011706 0.734692 0.704960
C 3.416250 -1.050052 -0.870898
C -4.861759 0.211121 -0.443172
C -3.924181 1.211642 -0.780418
H -0.373221 -1.227025 0.012444
H 2.335951 1.880797 1.488739
H 1.319103 -1.259857 -1.322207
H -5.068593 -1.805224 0.369159
H -1.804776 -3.034710 0.177805
H -1.807491 -2.250347 1.781832
H -3.248131 -3.139148 1.210553
H 4.769474 1.306079 1.254894
H 3.711009 -1.852170 -1.558551
H -5.932460 0.378617 -0.593384
H -4.245866 2.171802 -1.200064
H 6.061283 -1.403644 -0.914855
H 6.481174 -0.128189 0.197132


