%chk=000051217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051217

0 1
 O    1.603000       1.176800       2.147900    
 O    5.458900      0.3273000      8.4299996E-02
 O    1.921500       2.003000      -2.409000    
 O  -0.6465000      0.2770000      -1.173100    
 O   -7.060900      -1.845600     -0.7451000    
 O   -8.046900     -0.3089000      0.6088000    
 N    1.633700       1.482600     -0.1615000    
 N    3.692400       1.022300      -1.266400    
 N   -1.944300       1.686500      0.1861000    
 C    3.201700     -0.1101000      0.8562000    
 C    3.876600     -0.3626000       2.222500    
 C    2.080600      0.9174000       1.042600    
 C    4.249200      0.4374000     -0.1191000    
 C    2.644100      -1.466500      0.3707000    
 C    2.372500       1.518000      -1.366100    
 C    4.429900      0.9213000       2.801100    
 C   0.3655000       2.202500     -0.1412000    
 C    3.452500      -2.309700     -0.3800000    
 C    1.341800      -1.825900      0.6916000    
 C    4.575800       1.260100      -2.402100    
 C    2.949300      -3.534700     -0.8182000    
 C   0.8387000      -3.050900      0.2535000    
 C  -0.7828000       1.259800     -0.4520000    
 C    1.642500      -3.905300     -0.5015000    
 C   -3.222800       1.080800      0.1466000    
 C   -4.266500       1.655900      0.8522000    
 C   -3.403200     -7.3100001E-02 -0.5978000    
 C   -5.526900       1.059900      0.8128000    
 C   -4.663800     -0.6691000     -0.6374000    
 C   -5.725600     -0.1026000      6.7900002E-02
 C   -7.039900     -0.7237000      2.5699999E-02
 H    4.695800      -1.087400       2.122700    
 H    3.169600     -0.7998000       2.940000    
 H    5.104600       1.464900       2.136700    
 H    5.013700      0.6774000       3.697000    
 H    3.659600       1.620100       3.134700    
 H   0.2269000       2.664600      0.8422000    
 H   0.3577000       3.002500     -0.8894000    
 H    4.478900      -2.061800     -0.6298000    
 H   0.6936000      -1.196700       1.292500    
 H    4.051300       1.033400      -3.335300    
 H    5.480700      0.6495000      -2.341600    
 H    4.852100       2.319200      -2.405200    
 H    3.576200      -4.202000      -1.402500    
 H  -0.1776000      -3.341500      0.5032000    
 H    1.251300      -4.859800     -0.8411000    
 H   -1.891400       2.534100      0.7468000    
 H   -4.122400       2.561300       1.435200    
 H   -2.633000     -0.5707000      -1.168200    
 H   -6.341200       1.516900       1.369000    
 H   -4.775600      -1.573400      -1.229300    
 H   -7.951500      -2.256300     -0.7675000    


%chk=000051217-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051217

0 1
O 1.068032 0.492421 1.798875
O 5.457273 0.111390 -0.087436
O 2.083087 2.394743 -2.318945
O -0.800607 0.048230 -0.912544
O -7.607737 -1.583298 -0.319446
O -8.396717 0.269827 0.837914
N 1.589780 1.431349 -0.242134
N 3.735641 1.117766 -1.284630
N -2.069724 1.689418 0.192847
C 3.189104 -0.225973 0.784943
C 3.789211 -0.287001 2.228202
C 1.882318 0.575499 0.841538
C 4.228550 0.361758 -0.191835
C 2.907523 -1.673650 0.254439
C 2.443466 1.671092 -1.354147
C 4.151243 1.088728 2.824293
C 0.300050 2.139199 -0.215116
C 3.977706 -2.606298 0.225795
C 1.628519 -2.074277 -0.204065
C 4.654978 1.462927 -2.397945
C 3.763932 -3.925255 -0.225833
C 1.421066 -3.398031 -0.655672
C -0.894306 1.167623 -0.338339
C 2.481565 -4.329833 -0.664370
C -3.375292 1.128168 0.186209
C -4.408060 1.880482 0.814472
C -3.677562 -0.125172 -0.413545
C -5.721638 1.391261 0.844656
C -4.999451 -0.605162 -0.377767
C -6.031062 0.141006 0.247019
C -7.433699 -0.335555 0.304361
H 4.691688 -0.918768 2.190790
H 3.043209 -0.793706 2.864873
H 4.909616 1.609151 2.211711
H 4.577163 0.957887 3.835076
H 3.262652 1.737647 2.925113
H 0.230394 2.724312 0.719706
H 0.296050 2.822585 -1.083220
H 4.982556 -2.296783 0.531836
H 0.786114 -1.376280 -0.224936
H 4.197679 1.165898 -3.354382
H 5.595601 0.921455 -2.226596
H 4.845179 2.548456 -2.419436
H 4.599814 -4.633479 -0.240253
H 0.425230 -3.693061 -1.004101
H 2.314954 -5.354571 -1.014553
H -1.985216 2.584579 0.682101
H -4.176444 2.847607 1.278620
H -2.881523 -0.699468 -0.888876
H -6.524649 1.959136 1.325035
H -5.243140 -1.568164 -0.834663
H -8.564717 -1.843413 -0.245540


