%chk=000018608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018608

0 1
 O   -3.707200      0.2737000      0.3128000    
 O   -2.397300      -1.441500     -0.4729000    
 N  -0.2124000     -0.1669000      0.6893000    
 N   -1.506100      0.3218000      0.7443000    
 C   0.6678000      0.8037000      5.3399999E-02
 C    2.105100      0.3230000      3.8199998E-02
 C   0.1598000       1.116900      -1.355900    
 C    2.360900      -1.030500     -8.4399998E-02
 C    3.126200       1.249400      0.1470000    
 C    3.683600      -1.473200     -9.8600000E-02
 C    4.448900      0.8067000      0.1327000    
 C    4.727500     -0.5547000      9.8000001E-03
 C   -2.521900     -0.3835000      0.1365000    
 C   -4.858300     -0.3483000     -0.2693000    
 C   -6.076700      0.5033000      1.7100001E-02
 H   0.6350000       1.731400      0.6428000    
 H   8.2199998E-02  0.2105000      -1.968300    
 H   0.8501000       1.794200      -1.872900    
 H  -0.8178000       1.610700      -1.349700    
 H   8.1799999E-02 -0.3175000       1.654400    
 H    1.570700      -1.767600     -0.1903000    
 H    2.919500       2.311400      0.2404000    
 H    3.901100      -2.532700     -0.1989000    
 H    5.262000       1.521900      0.2162000    
 H   -1.683600       1.185300       1.247300    
 H    5.757500     -0.8991000     -2.7000001E-03
 H   -4.715900     -0.4386000      -1.351900    
 H   -4.993100      -1.345200      0.1649000    
 H   -6.976600      5.6299999E-02 -0.4145000    
 H   -6.221600      0.6182000       1.096400    
 H   -5.949000       1.509700     -0.3953000    


%chk=000018608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018608

0 1
O -3.760635 0.290085 0.358501
O -2.361848 -1.411793 -0.493355
N -0.194488 0.068009 0.722287
N -1.548593 0.418689 0.784418
C 0.702440 0.975846 -0.049063
C 2.119021 0.406644 0.025810
C 0.206521 1.090082 -1.509126
C 2.346153 -0.973141 -0.217653
C 3.223598 1.249175 0.300223
C 3.657784 -1.495366 -0.191285
C 4.538141 0.728348 0.320268
C 4.758573 -0.646342 0.074501
C -2.516239 -0.349798 0.147688
C -4.931653 -0.407491 -0.238775
C -6.161453 0.429315 0.101767
H 0.716153 2.003515 0.392843
H 0.168121 0.090646 -1.974215
H 0.890850 1.730322 -2.092698
H -0.805423 1.531102 -1.549505
H 0.183891 -0.221882 1.632501
H 1.487379 -1.623764 -0.416542
H 3.055559 2.315847 0.496902
H 3.823192 -2.562353 -0.379211
H 5.385443 1.390627 0.531407
H -1.864408 1.285413 1.237895
H 5.776292 -1.052413 0.092951
H -4.772421 -0.496032 -1.329036
H -4.987927 -1.427824 0.182514
H -7.065738 -0.046299 -0.319920
H -6.290512 0.513562 1.194530
H -6.075572 1.446072 -0.318723


