%chk=000045446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045446

0 1
 O    5.643500      1.7700000E-02 -0.6784000    
 N    2.208700      0.2467000      0.6151000    
 C   0.8981000      4.7800001E-02 -1.0600000E-02
 C  -0.2108000      0.3382000       1.017200    
 C   -1.606000      0.2001000      0.4567000    
 C   0.8357000      -1.380400     -0.5527000    
 C    3.274200      3.8800001E-02 -0.3513000    
 C   -2.221300       1.303700     -0.1125000    
 C   -2.245400      -1.027700      0.5212000    
 C    4.634100      0.2471000      0.2958000    
 C   -3.510100       1.176200     -0.6305000    
 C   -3.534200      -1.155100      3.0000000E-03
 C   -4.166500     -5.3100001E-02 -0.5728000    
 H   0.7803000      0.7471000     -0.8493000    
 H  -9.0499997E-02   1.354400       1.417800    
 H  -0.1058000     -0.3276000       1.885400    
 H    2.267400       1.191200      0.9947000    
 H  -0.1529000      -1.615400     -0.9561000    
 H    1.061700      -2.121400      0.2225000    
 H    1.504400      -1.545400      -1.402700    
 H    3.170000      0.7164000      -1.208000    
 H    3.297500     -0.9800000     -0.7489000    
 H   -1.717200       2.264400     -0.1641000    
 H   -1.766600      -1.891100      0.9741000    
 H    4.793700     -0.4551000       1.120500    
 H    4.749300       1.265500      0.6819000    
 H   -4.002300       2.034000      -1.079500    
 H   -4.046100      -2.111900      4.9300000E-02
 H   -5.170000     -0.1523000     -0.9761000    
 H    5.518200      0.6681000      -1.390300    


%chk=000045446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045446

0 1
O 5.861760 0.402367 -0.529118
N 2.231269 0.123891 0.494465
C 0.892445 -0.106729 -0.110581
C -0.172279 0.124438 1.003112
C -1.604357 0.107535 0.491558
C 0.793513 -1.527223 -0.702448
C 3.381632 0.139284 -0.429499
C -2.109708 1.193743 -0.271341
C -2.463301 -0.992039 0.746298
C 4.685659 0.389885 0.351569
C -3.431633 1.180467 -0.768578
C -3.788108 -1.010673 0.251861
C -4.276845 0.075701 -0.509233
H 0.687529 0.626847 -0.933351
H 0.036713 1.107325 1.476847
H -0.022413 -0.646828 1.781360
H 2.220469 0.970672 1.082865
H -0.232283 -1.722349 -1.060377
H 1.052642 -2.273757 0.070326
H 1.477771 -1.663464 -1.558553
H 3.283806 0.913749 -1.238781
H 3.463751 -0.840003 -0.932667
H -1.464251 2.059467 -0.468475
H -2.091261 -1.837135 1.338559
H 4.866608 -0.432668 1.060378
H 4.612727 1.340531 0.927930
H -3.804815 2.029702 -1.352582
H -4.436992 -1.868638 0.462094
H -5.303726 0.064628 -0.891629
H 5.744782 1.112172 -1.210611


