%chk=000029650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029650

0 1
 O  -3.5999999E-03  0.3503000      3.4000000E-03
 N  -0.6969000      -1.655600      0.7109000    
 N   0.6855000      -1.656700      0.7120000    
 N   -3.307700      -2.096100     -0.4322000    
 N    3.307500      -2.096600     -0.4323000    
 C   -2.358500      9.8300003E-02  9.1300003E-02
 C    2.350700      9.4499998E-02  9.3099996E-02
 C   -1.044100     -0.4696000      0.2925000    
 C    1.046200     -0.4666000      0.2919000    
 C   -3.447300     -0.7000000     -0.2596000    
 C    3.449300     -0.7008000     -0.2593000    
 C   -2.526100       1.473400      0.2551000    
 C    2.531300       1.474000      0.2551000    
 C   -4.703600     -0.1231000     -0.4465000    
 C    4.706400     -0.1258000     -0.4463000    
 C   -3.782400       2.050100      6.8000004E-02
 C    3.788400       2.049000      6.8200000E-02
 C   -4.871000       1.252000     -0.2828000    
 C    4.875900       1.249100     -0.2824000    
 H   -1.699300       2.121200      0.5369000    
 H    1.705900       2.124500      0.5363000    
 H   -5.561100     -0.7329000     -0.7199000    
 H    5.562900     -0.7369000     -0.7197000    
 H   -3.913700       3.120500      0.1976000    
 H    3.921300       3.119100      0.1975000    
 H   -5.849200       1.701300     -0.4278000    
 H    5.854800       1.696700     -0.4274000    
 H   -2.411700      -2.547900     -0.3135000    
 H   -4.113400      -2.651500     -0.6887000    
 H    2.411300      -2.547400     -0.3116000    
 H    4.112700      -2.653500     -0.6875000    


%chk=000029650-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029650

0 1
O 0.000799 0.513979 -0.048725
N -0.712688 -1.641806 -0.263932
N 0.712778 -1.642335 -0.263795
N -3.378983 -2.109177 -0.310448
N 3.378736 -2.111646 -0.309756
C -2.461434 0.159192 -0.083464
C 2.462820 0.157409 -0.083004
C -1.115393 -0.361329 -0.135993
C 1.116412 -0.362146 -0.135786
C -3.580444 -0.750855 -0.174198
C 3.581181 -0.753467 -0.173538
C -2.694462 1.557625 0.057525
C 2.696865 1.555673 0.058006
C -4.899050 -0.201063 -0.117879
C 4.900181 -0.204655 -0.117018
C -3.997623 2.073860 0.110621
C 4.000398 2.070935 0.111308
C -5.100702 1.180207 0.021532
C 5.102834 1.176469 0.022400
H -1.830024 2.226035 0.124302
H 1.832908 2.224721 0.124635
H -5.757958 -0.879604 -0.185170
H 5.758593 -0.883834 -0.184179
H -4.163389 3.149805 0.219084
H 4.166939 3.146757 0.219808
H -6.123620 1.571619 0.061857
H 6.126034 1.567132 0.062845
H -2.410419 -2.466423 -0.344931
H -4.174375 -2.739428 -0.372964
H 2.409915 -2.468169 -0.344578
H 4.173670 -2.742478 -0.372267


