%chk=000028957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028957

0 1
 O    1.167500       2.251000      7.2800003E-02
 N   -3.469600      2.8100001E-02  0.6970000    
 N  -0.2771000      0.1040000     -0.7943000    
 C   -2.533800     -0.4290000      -1.551800    
 C   -3.215800      0.5837000     -0.6267000    
 C   -1.201800     -0.9687000      -1.032300    
 C   -4.392000      -1.105700      0.6121000    
 C   -4.007500       1.053800       1.592500    
 C   0.9731000     -8.7099999E-02 -0.2638000    
 C    1.752400       1.179000     -8.6499996E-02
 C    1.423300      -1.307000      7.3600002E-02
 C    3.228400       1.191700     -0.2314000    
 C    2.648900      -1.689000      0.7242000    
 C    4.093100      0.2252000      8.8299997E-02
 C    3.810800      -1.030000      0.7261000    
 H   -3.201200      -1.264800      -1.789800    
 H   -2.351700      7.5499997E-02  -2.510700    
 H   -4.149200      0.9204000      -1.097700    
 H   -2.581200       1.474000     -0.5407000    
 H  -0.7961000      -1.655500      -1.785300    
 H   -1.380800      -1.544100     -0.1165000    
 H  -0.5088000       1.044500      -1.096900    
 H   -3.938600      -1.967300      0.1132000    
 H   -5.324800     -0.8469000      9.7900003E-02
 H   -4.651800      -1.459600       1.617100    
 H   -4.965600       1.451200       1.238000    
 H   -3.302800       1.887000       1.691000    
 H   -4.153000      0.6481000       2.599900    
 H   0.7914000      -2.178800     -8.8000000E-02
 H    3.630500       2.126600     -0.6169000    
 H    2.609100      -2.644900       1.243500    
 H    5.151700      0.4217000     -7.1500003E-02
 H    4.653400      -1.479600       1.247200    


%chk=000028957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028957

0 1
O 1.189831 2.086224 -1.285680
N -3.543641 -0.128290 0.671586
N -0.198055 -0.035881 -1.082895
C -2.574846 -0.424423 -1.636070
C -3.197724 0.545146 -0.603193
C -1.256406 -1.048386 -1.138235
C -4.754367 -0.968211 0.575452
C -3.615707 0.809504 1.811764
C 1.036012 -0.162796 -0.513501
C 1.808434 1.127195 -0.664565
C 1.450103 -1.366699 0.104223
C 3.147094 1.319906 -0.162652
C 2.672484 -1.679940 0.747553
C 4.008384 0.458969 0.528718
C 3.816216 -0.887091 0.946353
H -3.283863 -1.240474 -1.868569
H -2.403439 0.120159 -2.586492
H -4.087269 1.046847 -1.063107
H -2.466957 1.343392 -0.373604
H -0.949214 -1.883929 -1.802504
H -1.436038 -1.461860 -0.125388
H -0.325703 0.902351 -1.507465
H -4.638583 -1.726852 -0.217874
H -5.680141 -0.377552 0.354408
H -4.909984 -1.503589 1.529098
H -4.438664 1.562850 1.718939
H -2.660365 1.354752 1.906518
H -3.779820 0.243414 2.746532
H 0.716292 -2.182613 0.084860
H 3.521579 2.329853 -0.376899
H 2.728067 -2.702099 1.148655
H 4.984474 0.894008 0.787429
H 4.652216 -1.356382 1.480206


