%chk=000094040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094040

0 1
 O    4.751900     -0.4792000      0.3077000    
 N   -2.431100       1.935100     -0.1225000    
 N   -1.088200       2.029300     -6.3000001E-02
 C   -3.272100      -2.097000      0.3808000    
 C   -1.838300      -1.630300      4.9400002E-02
 C   -4.343300      -1.310800     -0.4047000    
 C   -1.766700     -0.1494000      2.6000000E-03
 C   -4.293400      0.2039000     -0.1154000    
 C   -2.880900      0.6516000     -9.0300001E-02
 C  -0.6891000      0.7538000      1.2000000E-02
 C   0.7131000      0.4350000      8.7700002E-02
 C    1.442400      0.2303000      -1.081100    
 C    1.334500      0.3343000       1.330200    
 C    2.800900     -7.7299997E-02  -1.007200    
 C    2.693100      2.7000001E-02   1.404100    
 C    3.426300     -0.1790000      0.2355000    
 C    5.440900     -0.6772000     -0.9259000    
 H   -3.364400      -3.168000      0.1680000    
 H   -3.457000      -1.967000       1.455100    
 H   -1.544600      -2.031100     -0.9282000    
 H   -1.141900      -2.032000      0.7935000    
 H   -5.340800      -1.695000     -0.1635000    
 H   -4.186700      -1.480500      -1.478100    
 H   -4.751700      0.4041000      0.8602000    
 H   -4.867800      0.7471000     -0.8732000    
 H   -2.971700       2.789200     -0.1809000    
 H   0.9682000      0.3062000      -2.056800    
 H   0.7767000      0.4916000       2.250300    
 H    3.310100     -0.2247000      -1.953500    
 H    3.175000     -5.0999999E-02   2.374900    
 H    5.449000      0.2343000      -1.533100    
 H    5.044300      -1.538200      -1.474600    
 H    6.483000     -0.9070000     -0.6807000    


%chk=000094040-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094040

0 1
O 4.842398 -0.518503 0.337011
N -2.554557 1.988924 -0.097214
N -1.165619 2.105198 -0.062536
C -3.320930 -2.096608 0.407791
C -1.887934 -1.626162 0.031560
C -4.409775 -1.339965 -0.397514
C -1.836495 -0.117612 -0.011541
C -4.414416 0.182198 -0.075006
C -2.992941 0.675821 -0.068955
C -0.731607 0.801179 -0.010351
C 0.720013 0.473972 0.046371
C 1.470480 0.270837 -1.136341
C 1.386441 0.335306 1.294558
C 2.844229 -0.059881 -1.092739
C 2.752313 0.005937 1.359195
C 3.486168 -0.193651 0.163145
C 5.647305 -0.725936 -0.867227
H -3.415788 -3.185085 0.232668
H -3.490326 -1.925907 1.490061
H -1.606620 -2.048339 -0.955269
H -1.151104 -2.024149 0.755148
H -5.408190 -1.763980 -0.180082
H -4.222518 -1.481719 -1.480264
H -4.886411 0.347944 0.915583
H -5.032604 0.725875 -0.816779
H -3.108446 2.841412 -0.138389
H 0.975446 0.381543 -2.107721
H 0.825124 0.497228 2.221402
H 3.393573 -0.204541 -2.027736
H 3.271205 -0.096976 2.317061
H 5.683063 0.187747 -1.492906
H 5.261237 -1.570294 -1.471999
H 6.656987 -0.963712 -0.501687


