%chk=000048854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048854

0 1
 O   -4.985900      0.5193000      0.3242000    
 N    4.934600      0.5287000     -0.1248000    
 N    1.251200     -3.0400001E-02 -0.1151000    
 N   0.6419000      -2.291900     -0.5958000    
 C    3.513400      0.8527000     -7.1999999E-03
 C    2.664300     -0.3830000     -0.2695000    
 C   -1.054500     -0.5738000     -0.1208000    
 C    5.297100     -0.5298000      0.8171000    
 C    5.751200       1.719700      0.1057000    
 C   0.3826000     -0.9732000     -0.2826000    
 C   -1.412100      0.7137000     -0.4339000    
 C   -1.944800      -1.514400      0.3333000    
 C   -3.682600      0.1565000      0.1760000    
 C   -2.748100       1.085000     -0.2830000    
 C   -3.280900      -1.143300      0.4842000    
 C   -5.327500       1.864400     -7.7000000E-03
 H    3.245800       1.624200     -0.7407000    
 H    3.277800       1.263600      0.9839000    
 H    2.856300     -0.7559000      -1.283400    
 H    2.884800      -1.175800      0.4520000    
 H    4.927100      -1.508200      0.4957000    
 H    4.951200     -0.3240000       1.836700    
 H    6.387300     -0.6464000      0.8573000    
 H    6.813300       1.493700     -4.0399998E-02
 H    5.619700       2.122700       1.116600    
 H    5.498200       2.505700     -0.6146000    
 H  -0.7030000       1.447900     -0.8031000    
 H   -1.656600      -2.524700      0.6037000    
 H   -2.992200       2.109500     -0.5427000    
 H   -4.003500      -1.869000      0.8475000    
 H    1.589000      -2.634100     -0.7144000    
 H  -9.3599997E-02  -2.962700     -0.7899000    
 H   -4.817600       2.581700      0.6444000    
 H   -6.401800       1.978300      0.1704000    
 H   -5.155500       2.073000      -1.069100    


%chk=000048854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048854

0 1
O -5.162510 0.515596 0.101200
N 5.033379 0.440116 -0.025237
N 1.288204 -0.129848 0.029661
N 0.616553 -2.350747 -0.609262
C 3.584945 0.721810 0.124656
C 2.706142 -0.523918 -0.099181
C -1.080874 -0.629643 -0.143171
C 5.598706 -0.315064 1.111701
C 5.815951 1.661488 -0.302499
C 0.358375 -1.025091 -0.237079
C -1.419460 0.745881 -0.171448
C -2.133118 -1.578816 -0.017481
C -3.795538 0.211513 0.019165
C -2.759223 1.174718 -0.093457
C -3.475970 -1.168049 0.061677
C -5.543477 1.929939 0.083151
H 3.295697 1.472540 -0.633186
H 3.334553 1.159184 1.123526
H 2.949502 -0.939543 -1.105758
H 2.968420 -1.310656 0.646312
H 5.062717 -1.270231 1.246534
H 5.547319 0.247308 2.080004
H 6.659164 -0.551174 0.909162
H 6.871790 1.392439 -0.489301
H 5.795463 2.405355 0.535319
H 5.424457 2.157132 -1.208501
H -0.599992 1.467253 -0.248471
H -1.914727 -2.650344 0.062919
H -2.982750 2.245456 -0.121991
H -4.289142 -1.892334 0.168199
H 1.575132 -2.684332 -0.667223
H -0.120736 -2.954886 -0.961463
H -5.104414 2.476255 0.940527
H -6.640410 1.932880 0.163903
H -5.237531 2.417511 -0.862908


