%chk=000038279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038279

0 1
 O   -3.420400      -1.358200     -0.5000000    
 O    2.992400      -1.452000      0.3511000    
 N    5.366600     -0.1999000      0.2453000    
 N    1.828400      0.4371000     -0.4158000    
 C    6.581100      0.6008000      0.1476000    
 C   0.4845000     -6.0999999E-03 -0.4414000    
 C    4.200800      0.5727000     -0.1603000    
 C    7.789200     -0.2106000      0.6089000    
 C  -0.5250000      0.8511000     -0.8495000    
 C    2.955800     -0.2888000     -3.7200000E-02
 C   -1.842900      0.3949000     -0.8692000    
 C   0.2104000      -1.307900     -5.2400000E-02
 C   -2.134300     -0.9126000     -0.4806000    
 C   -1.107600      -1.764000     -7.2300002E-02
 C    9.067600      0.6102000      0.5370000    
 C  -0.2421000       2.255900      -1.272500    
 C   -4.397100     -0.5278000      2.3399999E-02
 C   -4.166000      0.1068000       1.230400    
 C   -5.579000     -0.3549000     -0.6740000    
 C   -5.150200      0.9427000       1.758100    
 C   -6.563200      0.4810000     -0.1464000    
 C   -6.348800       1.129700       1.069700    
 H    6.490400       1.495600      0.7755000    
 H    6.735900      0.9309000     -0.8869000    
 H    4.074400       1.449300      0.4858000    
 H    4.293000      0.9034000      -1.201500    
 H    7.641700     -0.5519000       1.640700    
 H    7.903300      -1.105300     -1.5100000E-02
 H    5.455800      -1.024300     -0.3485000    
 H    1.985300       1.397300     -0.7100000    
 H   -2.632300       1.059200      -1.212800    
 H   0.9407000      -2.031200      0.2762000    
 H   -1.330300      -2.783400      0.2315000    
 H    9.921200      1.1700000E-02  0.8705000    
 H    9.002500       1.495400       1.177700    
 H    9.264500      0.9409000     -0.4879000    
 H   0.2147000       2.820400     -0.4526000    
 H   -1.156800       2.787300      -1.557700    
 H   0.4229000       2.269600      -2.142300    
 H   -3.251600     -4.0899999E-02   1.797300    
 H   -5.747200     -0.8592000      -1.620800    
 H   -4.985700       1.443600       2.707600    
 H   -7.496500      0.6265000     -0.6824000    
 H   -7.115700       1.779500       1.481200    


%chk=000038279-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038279

0 1
O -3.446750 -1.195573 -0.558048
O 3.152644 -1.374804 -0.035672
N 5.454711 0.134965 0.361672
N 1.924274 0.595019 -0.431432
C 6.821776 0.495181 -0.054332
C 0.574554 0.130745 -0.433881
C 4.381853 0.699752 -0.457879
C 7.869852 -0.145908 0.876059
C -0.460512 1.101712 -0.619017
C 3.099164 -0.130316 -0.273726
C -1.803903 0.668543 -0.630758
C 0.246784 -1.240620 -0.268708
C -2.121408 -0.697783 -0.456352
C -1.100129 -1.651517 -0.280085
C 9.316371 0.189445 0.454756
C -0.136179 2.574629 -0.812654
C -4.541292 -0.477333 -0.014400
C -4.441342 0.318499 1.151422
C -5.784401 -0.675789 -0.655782
C -5.607362 0.928683 1.665737
C -6.940706 -0.062335 -0.127343
C -6.858497 0.745921 1.031492
H 6.926039 1.598981 -0.010687
H 7.038488 0.199496 -1.115004
H 4.203532 1.763513 -0.190703
H 4.618302 0.685061 -1.556439
H 7.678372 0.197560 1.910014
H 7.729630 -1.246639 0.877253
H 5.315355 -0.879615 0.480219
H 2.045666 1.601164 -0.564324
H -2.604419 1.398830 -0.787979
H 1.051123 -1.963637 -0.124613
H -1.367425 -2.704733 -0.156103
H 10.048840 -0.271544 1.141638
H 9.489790 1.282224 0.461528
H 9.531430 -0.179414 -0.565878
H 0.395821 3.003180 0.060712
H -1.058512 3.162670 -0.945824
H 0.489837 2.749928 -1.710966
H -3.477502 0.445507 1.654049
H -5.824681 -1.306302 -1.549048
H -5.535677 1.541016 2.571667
H -7.905735 -0.215200 -0.623018
H -7.757375 1.221340 1.437838


