%chk=000030370.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030370

0 1
 O  -0.5805000      0.5421000      5.3599998E-02
 O   0.9435000       1.027900      -1.580800    
 N   -4.771600     -0.3152000      0.5250000    
 N    1.568200     -5.7999999E-03  0.4245000    
 C   -2.928600      0.9788000      1.7000000E-03
 C   -4.120800       1.555400     -0.7661000    
 C   -3.336100     -0.4630000      0.2818000    
 C   -5.257000      0.5589000     -0.5451000    
 C   -1.612000       1.093100     -0.7480000    
 C   -5.466100      -1.593600      0.5580000    
 C   -6.951300      -1.405000      0.8161000    
 C   0.6891000      0.5632000     -0.4763000    
 C    2.963100     -0.1860000      0.2842000    
 C    3.447100      -1.356700     -0.2826000    
 C    3.827400      0.8104000      0.7153000    
 C    4.823600      -1.534400     -0.4212000    
 C    5.204000      0.6326000      0.5766000    
 C    2.531600      -2.440500     -0.7524000    
 C    3.324500       2.077700       1.327300    
 C    5.702100     -0.5397000      8.3999997E-03
 H   -2.836300       1.502800      0.9641000    
 H   -3.912900       1.665300      -1.836300    
 H   -4.378100       2.544700     -0.3711000    
 H   -3.132700      -1.109300     -0.5820000    
 H   -2.815800     -0.8674000       1.156300    
 H   -6.178500       1.079900     -0.2662000    
 H   -5.436600      6.8000001E-03  -1.476700    
 H   -1.392800       2.148300     -0.9500000    
 H   -1.663600      0.5546000      -1.702100    
 H   -5.326700      -2.156600     -0.3736000    
 H   -5.053400      -2.205500       1.369200    
 H   -7.127600     -0.8091000       1.718200    
 H   -7.459600     -0.9221000     -2.4499999E-02
 H   -7.428000      -2.379800      0.9657000    
 H    1.176000     -0.3422000       1.300500    
 H    5.229000      -2.441000     -0.8625000    
 H    5.902800       1.397500      0.9049000    
 H    1.927700      -2.090600      -1.596100    
 H    3.084700      -3.324500      -1.087800    
 H    1.869200      -2.764000      5.7500001E-02
 H    2.680100       1.862000       2.186100    
 H    4.143500       2.708200       1.690300    
 H    2.762400       2.660400      0.5903000    
 H    6.773900     -0.6780000     -0.1000000    


%chk=000030370-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030370

0 1
O -0.565611 0.548035 0.344815
O 0.992520 1.525838 -1.131826
N -4.849044 -0.449293 0.351447
N 1.604968 -0.074669 0.508161
C -2.953021 0.978536 0.383018
C -4.163635 1.790544 -0.196450
C -3.375177 -0.497001 0.189857
C -5.284385 0.737045 -0.433111
C -1.640444 1.349619 -0.301597
C -5.537560 -1.714026 0.021829
C -7.035615 -1.685498 0.375627
C 0.728970 0.742340 -0.187621
C 3.010095 -0.223483 0.244471
C 3.502055 -1.544783 0.021007
C 3.882240 0.903813 0.263124
C 4.886252 -1.723152 -0.206122
C 5.259329 0.679799 0.010132
C 2.558000 -2.734773 0.016132
C 3.385310 2.301309 0.570868
C 5.762890 -0.616507 -0.223567
H -2.861042 1.179018 1.465252
H -3.897322 2.296769 -1.143063
H -4.483787 2.569191 0.515694
H -3.072018 -0.847665 -0.833601
H -2.920211 -1.177098 0.929821
H -6.275504 1.089226 -0.099150
H -5.359814 0.493989 -1.525260
H -1.398323 2.422191 -0.183081
H -1.659475 1.115404 -1.383388
H -5.417071 -1.969051 -1.065499
H -5.044575 -2.522005 0.596312
H -7.170940 -1.428743 1.441129
H -7.584794 -0.942951 -0.230964
H -7.494320 -2.673976 0.190476
H 1.161264 -0.726945 1.158708
H 5.272677 -2.733576 -0.383603
H 5.941422 1.538012 0.016001
H 1.695530 -2.563717 -0.654458
H 3.079794 -3.645453 -0.322159
H 2.149542 -2.950738 1.024475
H 2.673537 2.296629 1.417437
H 4.226629 2.967136 0.827449
H 2.845430 2.726599 -0.294401
H 6.832133 -0.765343 -0.410122


