%chk=000038291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038291

0 1
 O    1.247800     -0.5353000       1.592200    
 O  -0.4588000       1.605800      0.5768000    
 O    3.818900     -0.2023000       2.599300    
 O   -4.590000     -0.5726000      -1.134000    
 N    3.562000     -0.6509000      -1.067200    
 C    3.607100     -0.9418000       1.393200    
 C    3.797000      9.7000003E-03  0.2095000    
 C    3.693700      0.2892000      -2.171900    
 C    2.216700      -1.571000       1.446400    
 C   -2.035900      9.7599998E-02 -7.7000000E-03
 C  -0.7797000      0.2815000      0.5609000    
 C   2.0500001E-02 -0.7541000       1.040300    
 C   -2.541300      -1.210200     -0.1111000    
 C   -1.504300       2.271600      2.0500001E-02
 C   -2.496200       1.395200     -0.3544000    
 C    2.689500       1.428300      -2.019900    
 C    3.491000     -0.4473000      -3.492300    
 C  -0.5017000      -2.046100      0.9274000    
 C   -1.759200      -2.272700      0.3626000    
 C   -1.371200       3.732800     -6.4400002E-02
 C   -3.845900      -1.466400     -0.6962000    
 C   -1.912700       4.457600       1.176500    
 C   -4.347100      -2.898500     -0.7864000    
 H    4.358100      -1.740000       1.358700    
 H    3.122500      0.8557000      0.3765000    
 H    4.814500      0.4206000      0.2447000    
 H    4.707000      0.7107000      -2.184000    
 H    2.144400      -2.220600       2.326800    
 H    2.060000      -2.172300      0.5428000    
 H    4.220200      -1.421000      -1.182000    
 H   -3.431400       1.672500     -0.8192000    
 H    2.979000       2.143800      -1.243900    
 H    1.681600       1.057800      -1.799800    
 H    2.624800       2.003800      -2.951000    
 H    2.489200     -0.8872000      -3.556500    
 H    3.612800      0.2355000      -4.340200    
 H    4.223100      -1.253900      -3.610700    
 H   4.0300000E-02  -2.911600       1.300700    
 H   -2.099400      -3.303200      0.3152000    
 H  -0.3178000       4.004600     -0.2025000    
 H   -1.905700       4.100200     -0.9485000    
 H    4.723700      0.1527000       2.569900    
 H   -2.976900       4.243500       1.321800    
 H   -1.791100       5.539500       1.065200    
 H   -1.377700       4.141200       2.078200    
 H   -4.447600      -3.330700      0.2127000    
 H   -5.337700      -2.903500      -1.253100    
 H   -3.681000      -3.496800      -1.413600    


%chk=000038291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038291

0 1
O 1.251616 -0.454315 0.921457
O -0.599685 1.651213 0.301133
O 3.548590 -0.462508 2.777142
O -5.073454 -0.458982 -0.640949
N 4.163000 -0.446240 -0.960590
C 3.580542 -0.972415 1.397613
C 3.986635 0.126010 0.386322
C 3.929659 0.464382 -2.118913
C 2.204090 -1.565670 1.112469
C -2.312290 0.113717 -0.002753
C -0.942433 0.287984 0.325011
C -0.059603 -0.774831 0.614115
C -2.864482 -1.208975 -0.047009
C -1.800105 2.343347 -0.048413
C -2.837756 1.447636 -0.234295
C 2.418360 0.705864 -2.325931
C 4.563726 -0.168661 -3.374284
C -0.612476 -2.083435 0.562319
C -1.976557 -2.278619 0.241771
C -1.688546 3.833791 -0.116222
C -4.295681 -1.432442 -0.381798
C -1.369424 4.484341 1.256755
C -4.838178 -2.862840 -0.412892
H 4.311569 -1.811545 1.327720
H 3.185027 0.881622 0.361625
H 4.908006 0.634227 0.772197
H 4.420597 1.454907 -1.946305
H 1.887638 -2.187423 1.971641
H 2.251442 -2.166157 0.184645
H 5.057176 -0.945968 -1.053405
H -3.863245 1.679865 -0.504805
H 1.931746 1.091330 -1.412931
H 1.920459 -0.242914 -2.596907
H 2.253126 1.438806 -3.137632
H 4.120086 -1.163960 -3.562379
H 4.384309 0.463912 -4.261154
H 5.658686 -0.289937 -3.259922
H 0.015914 -2.952268 0.775103
H -2.352679 -3.306395 0.219957
H -0.897534 4.111175 -0.840828
H -2.641518 4.229559 -0.510574
H 4.314087 0.151673 2.913745
H -2.166128 4.266608 1.989689
H -1.283276 5.580775 1.152043
H -0.417907 4.096920 1.659673
H -4.731365 -3.354863 0.571777
H -5.905005 -2.825370 -0.680713
H -4.301660 -3.481534 -1.156016


