%chk=000049729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049729

0 1
 O   -6.124700      0.5803000     -0.8506000    
 O   0.2651000       2.074400      0.1752000    
 N   -3.086600     -0.9118000      0.5816000    
 N    1.251800      1.8900000E-02 -0.3872000    
 C   -1.777900     -0.3423000      0.9440000    
 C   -1.156800      0.2241000     -0.3507000    
 C   -2.003700      0.7553000       1.993800    
 C  -0.9338000      -1.474000       1.544100    
 C   -3.954400      0.1188000      4.2700000E-02
 C   0.1981000      0.8938000     -0.1559000    
 C   -5.303700     -0.4644000     -0.3451000    
 C    2.637000      0.2952000     -0.3001000    
 C    3.564800     -0.6996000     -0.5651000    
 C    3.148500      -2.082900     -0.9478000    
 C    3.035200       1.574900      5.4200001E-02
 C    4.925700     -0.4074000     -0.4737000    
 C    4.396100       1.867000      0.1454000    
 C    5.341200      0.8759000     -0.1184000    
 C    2.976400      -2.990900      0.2657000    
 C   -7.398400      9.4700001E-02  -1.252200    
 H   -1.066500     -0.5603000      -1.114300    
 H   -1.747100       1.025800     -0.8047000    
 H   -2.964800      -1.656200     -0.1049000    
 H   -2.684000      0.4244000       2.788000    
 H   -1.057700       1.015400       2.484600    
 H   -2.389900       1.688200       1.569400    
 H  -0.7398000      -2.263600      0.8088000    
 H   -1.440100      -1.935200       2.400800    
 H   3.3599999E-02  -1.107300       1.903600    
 H   -3.583600      0.5882000     -0.8710000    
 H   -4.161900      0.9202000      0.7589000    
 H   -5.178600      -1.235200      -1.115800    
 H   -5.788600     -0.9161000      0.5291000    
 H   0.9955000     -0.9336000     -0.6240000    
 H    3.920600      -2.521000      -1.595200    
 H    2.248700      -2.091100      -1.571600    
 H    2.373600       2.398600      0.2742000    
 H    5.674300      -1.169500     -0.6739000    
 H    4.721400       2.865800      0.4220000    
 H    6.400800       1.103300     -4.6700001E-02
 H    3.903900      -3.062400      0.8439000    
 H    2.698400      -4.000000     -5.4699998E-02
 H    2.192000      -2.618700      0.9328000    
 H   -7.985300      0.9374000      -1.627200    
 H   -7.292900     -0.6416000      -2.054800    
 H   -7.926300     -0.3472000     -0.4016000    


%chk=000049729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049729

0 1
O -6.288747 0.113812 -1.168712
O 0.566620 2.148157 0.604228
N -3.087771 -0.692633 0.541509
N 1.430021 0.179481 -0.353075
C -1.811852 -0.052884 0.974155
C -1.008793 0.489923 -0.284010
C -2.107850 1.098253 1.963235
C -0.992910 -1.153579 1.690222
C -4.054508 0.084827 -0.262466
C 0.386332 1.030372 0.029551
C -5.405528 -0.641633 -0.276399
C 2.838692 0.345393 -0.199074
C 3.691415 -0.714268 -0.650967
C 3.138228 -2.013040 -1.230001
C 3.396759 1.520546 0.372173
C 5.089510 -0.551647 -0.514610
C 4.796163 1.645028 0.496310
C 5.652213 0.612626 0.054119
C 2.623480 -2.997217 -0.141426
C -7.635187 -0.447905 -1.221451
H -0.961329 -0.327073 -1.033099
H -1.588441 1.318798 -0.729091
H -2.910837 -1.618079 0.124909
H -2.674916 0.703446 2.824179
H -1.169458 1.556981 2.314128
H -2.700134 1.903250 1.493701
H -0.762686 -1.996179 1.006084
H -1.575486 -1.552962 2.538221
H -0.039467 -0.753875 2.075794
H -3.741985 0.257293 -1.318711
H -4.197719 1.076377 0.199031
H -5.287291 -1.686598 -0.650253
H -5.822918 -0.689955 0.752168
H 1.138156 -0.689572 -0.802174
H 3.938835 -2.514201 -1.803881
H 2.332199 -1.816527 -1.969009
H 2.725842 2.313227 0.707183
H 5.746824 -1.357588 -0.864149
H 5.213565 2.556304 0.938880
H 6.739102 0.711600 0.145799
H 3.445846 -3.276377 0.540428
H 2.226215 -3.921882 -0.599187
H 1.825479 -2.549011 0.478742
H -8.210941 0.189190 -1.911184
H -7.628406 -1.491604 -1.604424
H -8.120737 -0.440294 -0.221791


