%chk=000094209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094209

0 1
 O    3.924600      0.5785000      0.8508000    
 N   -2.968300      -1.940400      0.4131000    
 C   -1.046400      0.5025000      0.7226000    
 C   -2.021400      0.1456000     -0.3968000    
 C   -1.878800      -1.394600     -0.3820000    
 C   -1.088000       2.033000      0.9459000    
 C   -1.617900     -0.2735000       2.004200    
 C   -1.804100      0.9253000      -1.707200    
 C   0.3610000     -3.8899999E-02  0.2378000    
 C  -0.7832000      -1.818900      -1.339800    
 C  -0.8741000       2.838100     -0.3405000    
 C   -1.854700       2.429800      -1.438600    
 C   -2.928600      -1.171200       1.724200    
 C   0.4727000      -1.072600     -0.7843000    
 C    1.541800      0.4798000      0.7840000    
 C    1.732100      -1.473200      -1.242600    
 C    2.787100      5.1899999E-02  0.3153000    
 C    2.881400     -0.9061000     -0.6961000    
 C    5.164600      0.1047000      0.3301000    
 H   -3.042400      0.4390000     -0.1076000    
 H   -1.222800      -1.752600      0.4271000    
 H  -0.3610000       2.347500       1.702000    
 H   -2.072500       2.307800       1.349800    
 H   -1.874800      0.4407000       2.796000    
 H  -0.8366000     -0.9225000       2.422200    
 H   -2.585000      0.6542000      -2.427400    
 H  -0.8475000      0.7057000      -2.189500    
 H  -0.9867000      -1.554300      -2.380900    
 H  -0.6163000      -2.902100      -1.285900    
 H   0.1531000       2.708400     -0.7001000    
 H  -0.9971000       3.905600     -0.1240000    
 H   -2.872000       2.714400      -1.142500    
 H   -1.627500       2.977600      -2.360200    
 H   -3.048100      -1.882100       2.549700    
 H   -3.808000     -0.5162000       1.748600    
 H   -2.810000      -2.930700      0.6026000    
 H    1.510500       1.224400       1.573800    
 H    1.822200      -2.239800      -2.007300    
 H    3.822000      -1.269500      -1.096300    
 H    5.961500      0.6284000      0.8685000    
 H    5.279600      0.3556000     -0.7299000    
 H    5.301000     -0.9649000      0.5226000    


%chk=000094209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094209

0 1
O 3.914922 0.626160 0.858240
N -3.077899 -1.944381 0.377232
C -1.042868 0.485261 0.754560
C -2.015046 0.113973 -0.380749
C -1.824518 -1.435151 -0.264703
C -1.000210 2.017695 0.988434
C -1.686572 -0.302510 2.014922
C -1.778772 0.879181 -1.701386
C 0.337066 -0.099515 0.224686
C -0.846183 -1.879533 -1.356007
C -0.783674 2.803500 -0.330639
C -1.823330 2.403007 -1.409482
C -3.042630 -1.121326 1.693170
C 0.419183 -1.101602 -0.841266
C 1.543924 0.418776 0.733520
C 1.690178 -1.473882 -1.319330
C 2.809252 0.015003 0.237339
C 2.892972 -0.928804 -0.808639
C 5.244507 0.252059 0.375325
H -3.049986 0.360950 -0.084749
H -1.113769 -1.598508 0.566200
H -0.238585 2.301464 1.740684
H -1.981353 2.312352 1.416179
H -1.974790 0.440306 2.785519
H -0.931294 -0.959955 2.486409
H -2.558352 0.607092 -2.439461
H -0.799499 0.637697 -2.152848
H -1.126155 -1.601474 -2.388382
H -0.626997 -2.965206 -1.340754
H 0.236267 2.608500 -0.715856
H -0.847720 3.890700 -0.128914
H -2.838910 2.682655 -1.058299
H -1.638549 2.972287 -2.341084
H -3.247095 -1.799952 2.544280
H -3.872568 -0.393931 1.657724
H -2.980407 -2.949721 0.606036
H 1.536964 1.169956 1.529704
H 1.750397 -2.232729 -2.109700
H 3.854640 -1.254443 -1.215750
H 5.948793 0.838231 0.984089
H 5.372931 0.509577 -0.694610
H 5.437140 -0.829362 0.519754


