%chk=000050672.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050672

2 1
 O    2.726400      0.3434000      0.4422000    
 O   -2.288500      0.2733000     -0.4846000    
 O    4.805500     -0.5356000     -3.5000001E-03
 O   -4.510800      0.4808000      -1.043000    
 N    2.977500      -2.004800     -0.2490000    
 N   -4.001300      -1.147100      0.5852000    
 C    1.264100       2.832700      2.8000001E-02
 C   4.9300000E-02   1.955800     -5.6299999E-02
 C  -8.8799998E-02   3.390800      0.3598000    
 C    2.252500       2.607200       1.132800    
 C  -0.4497000       1.538500      -1.389600    
 C    3.331300       1.604600      0.7455000    
 C   -1.960000       1.301500      -1.409600    
 C    3.588600     -0.6546000      7.6499999E-02
 C   -3.619200     -5.0999999E-02 -0.3921000    
 C    3.549000      -3.044900      0.7068000    
 C    1.458300      -1.976900     -0.1003000    
 C    3.328000      -2.366600      -1.687000    
 C   -4.669900      -2.279300     -0.1848000    
 C   -2.775100      -1.696900       1.309800    
 C   -4.967200     -0.5710000       1.613200    
 H    1.731600       3.179900     -0.8855000    
 H  -8.7499999E-02   1.194100      0.7019000    
 H  -0.3287000       3.591700       1.397100    
 H  -0.5257000       4.095700     -0.3374000    
 H    2.723100       3.563300       1.388800    
 H    1.736400       2.247200       2.031700    
 H  -0.2026000       2.283900      -2.155500    
 H   6.0800001E-02  0.6121000      -1.672900    
 H    4.032300       1.480400       1.578800    
 H    3.877400       1.961800     -0.1356000    
 H   -2.266400      0.9986000      -2.417400    
 H   -2.488100       2.222000      -1.134200    
 H    3.093600      -4.012600      0.4760000    
 H    4.632800      -3.095100      0.5654000    
 H    3.307800      -2.740500       1.729600    
 H    1.072400      -2.975300     -0.3282000    
 H    1.211800      -1.704700      0.9303000    
 H    1.054200      -1.249900     -0.8078000    
 H    2.868700      -3.331500      -1.921300    
 H    2.935100      -1.584300      -2.343500    
 H    4.416200      -2.434800      -1.777700    
 H   -4.927500      -3.072700      0.5232000    
 H   -5.574500      -1.893100     -0.6639000    
 H   -3.964300      -2.648000     -0.9353000    
 H   -3.105200      -2.479700       1.999500    
 H   -2.088800      -2.114100      0.5665000    
 H   -2.302600     -0.8803000       1.864200    
 H   -5.225200      -1.361300       2.324500    
 H   -4.470300      0.2591000       2.124200    
 H   -5.865600     -0.2219000       1.095400    


%chk=000050672-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050672

2 1
O 3.762642 -0.643455 0.217614
O -3.962788 0.181168 -0.069361
O 5.687549 0.611642 0.681488
O -5.572233 1.468618 -1.187073
N 5.793271 -1.324796 -0.806740
N -6.000861 0.619664 1.064795
C 0.676120 -0.171737 -0.029902
C -0.845106 0.037644 0.068533
C 0.067275 1.207677 -0.345718
C 1.513309 -0.365597 1.231331
C -1.780691 -0.601694 -0.953463
C 2.916983 0.227578 1.162477
C -3.020912 0.222378 -1.284703
C 5.069197 -0.306338 0.140600
C -5.141523 0.822000 -0.231122
C 5.649631 -2.738525 -0.225533
C 5.154775 -1.257526 -2.200288
C 7.274347 -0.943678 -0.891190
C -6.293360 -0.878520 1.233345
C -5.227215 1.148293 2.279017
C -7.314124 1.391893 0.904947
H 1.015507 -0.751012 -0.898340
H -1.247666 0.088074 1.088449
H 0.221653 2.020291 0.371992
H 0.049589 1.537475 -1.389799
H 1.018919 0.142983 2.084107
H 1.574445 -1.435624 1.507435
H -1.244148 -0.729601 -1.915734
H -2.083118 -1.617265 -0.634002
H 3.436580 0.213431 2.135942
H 2.932696 1.247266 0.740951
H -3.597629 -0.191391 -2.129704
H -2.794959 1.286995 -1.467282
H 6.183546 -3.438403 -0.886330
H 6.098970 -2.758470 0.779117
H 4.583264 -2.996171 -0.172702
H 5.686616 -1.962484 -2.857286
H 4.094372 -1.532370 -2.119678
H 5.257515 -0.233460 -2.590572
H 7.770153 -1.665138 -1.557834
H 7.365976 0.076737 -1.288846
H 7.717268 -0.979853 0.113985
H -6.920755 -1.008683 2.128375
H -6.833866 -1.238325 0.344382
H -5.343081 -1.417555 1.347954
H -5.858928 1.020921 3.171359
H -4.294585 0.577787 2.383416
H -5.008820 2.216223 2.125946
H -7.911123 1.231575 1.815177
H -7.093641 2.460200 0.770398
H -7.849836 1.019060 0.020971


