%chk=000020478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020478

0 1
 N    4.660400     -0.4913000      -2.336400    
 N   -4.679300     -0.1027000      -2.351500    
 C  -1.7000000E-03 -5.2800000E-02 -0.8456000    
 C   6.8200000E-02   1.215800      6.8000001E-03
 C  -6.5899998E-02  -1.135300      0.2339000    
 C    1.257000     -0.2079000      -1.706500    
 C   -1.266200     -6.4199999E-02  -1.712100    
 C   4.7200002E-02  0.8874000       1.381400    
 C  -3.5100002E-02 -0.5504000       1.520100    
 C    2.510200     -0.2519000     -0.8425000    
 C   -2.521500     -5.6400001E-02 -0.8501000    
 C   0.1440000       2.535900     -0.4124000    
 C  -0.1443000      -2.510900      7.4900001E-02
 C   0.1021000       1.881200       2.345800    
 C  -8.2699999E-02  -1.341600       2.657100    
 C   0.1989000       3.536300      0.5596000    
 C  -0.1922000      -3.307200       1.220500    
 C   0.1784000       3.211900       1.925500    
 C  -0.1618000      -2.728100       2.499300    
 C    3.710800     -0.3855000      -1.678000    
 C   -3.726300     -8.2400002E-02  -1.689700    
 H    1.196500      -1.127700      -2.304500    
 H    1.330900      0.6188000      -2.426400    
 H   -1.273900      0.7952000      -2.396000    
 H   -1.275800     -0.9598000      -2.349200    
 H    2.497800      -1.098300     -0.1483000    
 H    2.622100      0.6588000     -0.2449000    
 H   -2.568600      0.8390000     -0.2210000    
 H   -2.574200     -0.9248000     -0.1863000    
 H   0.1608000       2.792800      -1.465900    
 H  -0.1684000      -2.963600     -0.9102000    
 H   8.6999997E-02   1.647000       3.405000    
 H  -5.9999999E-02 -0.9094000       3.652000    
 H   0.2587000       4.578300      0.2572000    
 H  -0.2539000      -4.387800       1.123200    
 H   0.2223000       4.007400       2.664900    
 H  -0.2003000      -3.367600       3.377200    


%chk=000020478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020478

0 1
N 4.694582 -0.484072 -2.551618
N -4.708185 -0.029409 -2.572889
C -0.002360 -0.078194 -0.796903
C 0.058967 1.200978 0.054721
C -0.057034 -1.166163 0.288947
C 1.254546 -0.230193 -1.715422
C -1.264704 -0.108837 -1.719290
C 0.041801 0.884459 1.445858
C -0.030662 -0.583835 1.591276
C 2.594964 -0.225223 -0.930544
C -2.601044 0.045055 -0.942548
C 0.124688 2.538637 -0.372028
C -0.126582 -2.561203 0.131738
C 0.090723 1.908924 2.416239
C -0.073243 -1.399252 2.743188
C 0.173525 3.569109 0.601823
C -0.170069 -3.381652 1.288190
C 0.156671 3.254483 1.983618
C -0.143409 -2.803234 2.581790
C 3.758379 -0.367587 -1.820520
C -3.768728 0.004674 -1.837486
H 1.170749 -1.173890 -2.287344
H 1.261729 0.594288 -2.453430
H -1.183456 0.702330 -2.467821
H -1.277041 -1.063259 -2.279328
H 2.605732 -1.051265 -0.194795
H 2.695589 0.717308 -0.360126
H -2.609560 1.002706 -0.388792
H -2.698593 -0.762361 -0.192621
H 0.138464 2.793326 -1.438538
H -0.147661 -3.018964 -0.864446
H 0.077943 1.674063 3.486361
H -0.053276 -0.960335 3.746860
H 0.224537 4.616357 0.284558
H -0.224252 -4.470564 1.181877
H 0.195047 4.062687 2.722203
H -0.177579 -3.451692 3.464143


