%chk=000040980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040980

1 1
 O   -6.005400      -1.851500      6.0100000E-02
 N    1.857000     -0.9332000      0.2027000    
 N  -0.4823000       1.168300     -0.5699000    
 N   -1.723400       1.676100     -0.3233000    
 C    2.781500       1.229900      0.2824000    
 C    3.850200      0.1947000      7.7399999E-02
 C    1.548300      0.3196000      0.3287000    
 C    3.251100      -1.063500      4.1200001E-02
 C    2.968200       1.971000       1.607300    
 C    2.697100       2.199400     -0.8970000    
 C    5.220800      0.3313000     -6.3299999E-02
 C    3.989700      -2.221500     -0.1358000    
 C   0.9983000      -2.124500      0.2115000    
 C   0.1827000      0.8705000      0.4899000    
 C    5.984100     -0.8250000     -0.2425000    
 C    5.373400      -2.090400     -0.2783000    
 C   -2.809500      0.7819000     -0.2263000    
 C   -1.955000       3.096000     -0.5711000    
 C   -4.040700       1.228800      0.2532000    
 C   -2.652300     -0.5504000     -0.6090000    
 C   -5.114500      0.3439000      0.3501000    
 C   -3.726100      -1.435400     -0.5123000    
 C   -4.957300     -0.9882000     -3.2800000E-02
 C   -7.236000      -1.327700      0.5572000    
 H    2.985500       1.278500       2.457600    
 H    3.906400       2.537100       1.621600    
 H    2.148400       2.676800       1.782700    
 H    3.629800       2.761400      -1.020500    
 H    2.501500       1.672800      -1.839000    
 H    1.888700       2.925800     -0.7568000    
 H    5.696100       1.305700     -3.5799999E-02
 H    3.534600      -3.205100     -0.1685000    
 H    1.361800      -2.822900      0.9708000    
 H    1.017100      -2.580200     -0.7823000    
 H  -2.3399999E-02  -1.834000      0.4649000    
 H  -0.1692000      0.9934000       1.527900    
 H    7.062000     -0.7469000     -0.3556000    
 H    5.986500      -2.976500     -0.4196000    
 H   -2.592600       3.242400      -1.449600    
 H   -1.007400       3.613800     -0.7599000    
 H   -2.412500       3.579200      0.2980000    
 H   -4.196300       2.255600      0.5707000    
 H   -1.717300     -0.9322000      -1.007800    
 H   -6.041700      0.7564000      0.7331000    
 H   -3.599200      -2.470900     -0.8166000    
 H   -7.137400     -0.9818000       1.591800    
 H   -7.958600      -2.150400      0.5629000    
 H   -7.639400     -0.5526000     -0.1030000    


%chk=000040980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040980

1 1
O -5.587607 0.216116 2.468456
N 2.409312 -0.255717 -1.290957
N -0.573454 -0.063299 -1.718620
N -1.908511 -0.002431 -1.825259
C 2.106743 0.283003 1.005451
C 3.586816 0.110804 0.673546
C 1.446941 0.020945 -0.365988
C 3.719669 -0.205872 -0.697517
C 1.630059 -0.765424 2.057606
C 1.794347 1.729446 1.498956
C 4.732599 0.217571 1.475650
C 4.961945 -0.422188 -1.319084
C 2.241047 -0.576703 -2.721399
C 0.033264 0.077969 -0.518452
C 6.000753 0.002960 0.876291
C 6.111975 -0.311467 -0.500935
C -2.837310 0.100396 -0.710615
C -2.454356 -0.078956 -3.198906
C -3.720928 1.200516 -0.629275
C -2.894742 -0.936034 0.261814
C -4.658618 1.283233 0.420440
C -3.825593 -0.860042 1.306492
C -4.712479 0.250384 1.395066
C -6.561351 1.311632 2.621962
H 1.826224 -1.797103 1.718761
H 2.174659 -0.606268 3.004243
H 0.550806 -0.659357 2.266841
H 2.331440 1.917923 2.444653
H 2.117755 2.486120 0.763899
H 0.714728 1.861407 1.689895
H 4.662171 0.461409 2.540926
H 5.054226 -0.662757 -2.382057
H 2.744017 -1.534142 -2.941468
H 2.701230 0.218087 -3.335001
H 1.172537 -0.645170 -2.955894
H -0.540535 0.274501 0.396620
H 6.907181 0.081824 1.484525
H 7.101440 -0.470966 -0.940661
H -3.132636 -0.944583 -3.287060
H -1.613864 -0.181888 -3.899436
H -3.021492 0.837013 -3.439465
H -3.674800 2.001599 -1.374820
H -2.236444 -1.807679 0.179392
H -5.331832 2.142894 0.471191
H -3.904627 -1.651028 2.057548
H -6.047285 2.279404 2.770596
H -7.135902 1.052338 3.521398
H -7.236217 1.365078 1.747753


