%chk=000020887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020887

0 1
 O  -3.9999999E-04   1.583000      2.9000000E-03
 N    1.033900     -0.4835000      0.4482000    
 N   -1.033600     -0.4834000     -0.4452000    
 C   0.7167000      -1.883500      0.2579000    
 C  -0.7150000      -1.883600     -0.2587000    
 C    2.309700     -5.2900001E-02  0.9767000    
 C   -2.308500     -5.2900001E-02 -0.9759000    
 C  -3.0000001E-04  0.3585000      2.4000001E-03
 C    3.321800      0.1193000     -0.1545000    
 C   -3.322600      0.1191000      0.1538000    
 C    4.672900      0.5953000      0.3806000    
 C   -4.672800      0.5950000     -0.3836000    
 C    5.696400      0.7351000     -0.7351000    
 C   -5.698200      0.7346000      0.7304000    
 H   0.8103000      -2.419800       1.207000    
 H    1.408800      -2.311800     -0.4737000    
 H  -0.8078000      -2.417500      -1.209200    
 H   -1.406700      -2.314500      0.4716000    
 H    2.651300     -0.7829000       1.718000    
 H    2.161300      0.9082000       1.482000    
 H   -2.648900     -0.7829000      -1.717900    
 H   -2.159500      0.9083000      -1.480600    
 H    2.940900      0.8392000     -0.8898000    
 H    3.450400     -0.8325000     -0.6847000    
 H   -2.942900      0.8389000      0.8898000    
 H   -3.451800     -0.8328000      0.6837000    
 H    5.049500     -0.1154000       1.125400    
 H    4.554000       1.561500      0.8845000    
 H   -5.048100     -0.1158000      -1.129100    
 H   -4.553100       1.561200     -0.8872000    
 H    6.653900       1.077700     -0.3303000    
 H    5.863000     -0.2233000      -1.237100    
 H    5.364100       1.462000      -1.483100    
 H   -6.655100       1.076800      0.3240000    
 H   -5.865500     -0.2238000       1.232100    
 H   -5.367300       1.461600       1.479000    


%chk=000020887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020887

0 1
O -0.000084 1.658769 -0.000981
N 1.003189 -0.441903 0.522005
N -1.003038 -0.442312 -0.522889
C 0.760106 -1.852873 0.172504
C -0.759675 -1.853091 -0.172848
C 2.303900 0.082332 0.942469
C -2.303776 0.081482 -0.943796
C 0.000000 0.392472 -0.000644
C 3.396488 0.051290 -0.156048
C -3.396509 0.050715 0.154583
C 4.739850 0.621132 0.353597
C -4.739929 0.620025 -0.355502
C 5.845946 0.598516 -0.723085
C -5.846145 0.597724 0.721063
H 0.994772 -2.526652 1.016298
H 1.366486 -2.166262 -0.703718
H -0.994206 -2.527244 -1.016383
H -1.365996 -2.166265 0.703491
H 2.650500 -0.484369 1.830712
H 2.131288 1.128632 1.255658
H -2.650144 -0.485687 -1.831833
H -2.131321 1.127673 -1.257434
H 3.045778 0.641799 -1.024854
H 3.554027 -0.988178 -0.510939
H -3.046041 0.641698 1.023164
H -3.553860 -0.988625 0.509932
H 5.072570 0.041359 1.239403
H 4.583008 1.661844 0.702434
H -5.072427 0.039741 -1.241056
H -4.583263 1.660595 -0.704844
H 6.793856 1.017540 -0.338259
H 6.046927 -0.434560 -1.065017
H 5.547996 1.192163 -1.607567
H -6.794106 1.016325 0.335903
H -6.046930 -0.435216 1.063518
H -5.548437 1.191908 1.605265


