%chk=000043227.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043227

0 1
 O  -0.7262000     -0.1256000     -0.9616000    
 O   -1.953200       2.260900     -0.9815000    
 N    2.776800      0.2013000      0.1380000    
 C    3.316400      -1.053600     -0.4043000    
 C    3.751800       1.294400      1.8200001E-02
 C    4.598000      -1.462900      0.3228000    
 C    5.047700      0.9618000      0.7595000    
 C    5.643100     -0.3541000      0.2719000    
 C    1.527200      0.5541000     -0.5354000    
 C   0.4728000     -0.5169000     -0.3058000    
 C   -1.902200     -0.5697000     -0.4160000    
 C   -2.862700      0.3330000      2.8300000E-02
 C   -2.119300      -1.940100     -0.3139000    
 C   -4.053000     -0.1396000      0.5809000    
 C   -3.309600      -2.412600      0.2388000    
 C   -2.649600       1.770200     -7.2099999E-02
 C   -4.276600      -1.512400      0.6862000    
 C   -3.281500       2.711800      0.9457000    
 H    3.512900     -0.9654000      -1.480800    
 H    2.630100      -1.892000     -0.2598000    
 H    3.337000       2.211900      0.4532000    
 H    3.974800       1.505100      -1.036100    
 H    5.006000      -2.374400     -0.1290000    
 H    4.368200      -1.700000       1.369500    
 H    4.848200      0.8959000       1.836700    
 H    5.773400       1.770700      0.6178000    
 H    6.509700     -0.6252000      0.8846000    
 H    6.000400     -0.2348000     -0.7583000    
 H    1.673500      0.7106000      -1.612500    
 H    1.140200       1.503300     -0.1419000    
 H   0.3040000     -0.6515000      0.7711000    
 H   0.7534000      -1.477800     -0.7438000    
 H   -1.380200      -2.653700     -0.6669000    
 H   -4.830800      0.5363000      0.9250000    
 H   -3.485100      -3.481500      0.3179000    
 H   -5.204900      -1.880800       1.113000    
 H   -3.340300       2.238500       1.929600    
 H   -4.276500       3.007100      0.6040000    
 H   -2.651800       3.601000       1.047200    


%chk=000043227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043227

0 1
O -0.631783 0.408285 0.206265
O -2.010035 2.536561 -0.710361
N 3.072606 0.009629 0.273474
C 3.462310 -0.666436 -0.992307
C 4.147035 0.918923 0.752494
C 4.751159 -1.492701 -0.808332
C 5.460314 0.145920 0.989289
C 5.900667 -0.595986 -0.293525
C 1.752531 0.678109 0.175046
C 0.626526 -0.326951 0.454360
C -1.841544 -0.247088 0.381295
C -3.049812 0.498632 0.136187
C -1.915135 -1.603360 0.801307
C -4.287714 -0.173659 0.341539
C -3.162638 -2.231479 0.981688
C -3.052339 1.927165 -0.332460
C -4.360530 -1.517857 0.753295
C -4.397369 2.669028 -0.361009
H 3.621920 0.086684 -1.809500
H 2.634558 -1.324051 -1.316742
H 3.809110 1.389434 1.694431
H 4.336837 1.744239 0.015908
H 5.025179 -1.965785 -1.771005
H 4.556689 -2.301753 -0.077877
H 5.299360 -0.587334 1.803386
H 6.245835 0.851321 1.322462
H 6.808079 -1.199062 -0.101024
H 6.164404 0.146261 -1.075474
H 1.576862 1.151406 -0.818941
H 1.693665 1.484756 0.927059
H 0.672505 -0.677684 1.503559
H 0.688773 -1.202008 -0.223090
H -0.999558 -2.169918 0.990622
H -5.218983 0.371569 0.163365
H -3.196145 -3.278436 1.303548
H -5.332175 -2.001693 0.893324
H -4.916356 2.626006 0.613605
H -5.075095 2.242875 -1.124842
H -4.197617 3.719737 -0.620818


