%chk=000052463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052463

0 1
 O   0.4583000      -1.498400     -0.4524000    
 O   0.6171000     -0.9670000       1.781400    
 O   -4.504200       2.259800      0.3037000    
 N   -2.677200      -3.335600      0.1634000    
 C   -1.806900      -2.199800     -0.1392000    
 C  -0.3476000      -2.626300     -0.1378000    
 C    1.704000      0.4039000      0.1218000    
 C    3.167400      0.2907000     -2.9700000E-02
 C    1.033500       1.536500     -0.1715000    
 C  -0.4189000       1.725600     -4.6900000E-02
 C   0.8785000     -0.7456000      0.6074000    
 C   -4.078100      -2.916500      0.1778000    
 C   -2.474500      -4.408200     -0.8098000    
 C    3.806300       1.037600      -1.004800    
 C    3.870500     -0.5594000      0.8068000    
 C   -1.238400       1.447600      -1.130900    
 C  -0.9467000       2.179700       1.153000    
 C   -2.616600       1.627800      -1.012500    
 C   -2.324800       2.359700       1.271300    
 C   -3.159800       2.083800      0.1886000    
 C    5.189800      0.9312000      -1.147900    
 C    5.254000     -0.6657000      0.6640000    
 C    5.913500      7.9599999E-02 -0.3134000    
 C   -5.299200       1.958900     -0.8424000    
 H   -2.056900      -1.743700      -1.106600    
 H   -1.948600      -1.413800      0.6131000    
 H  -5.0200000E-02  -3.084700      0.8136000    
 H  -0.1302000      -3.352700     -0.9258000    
 H    1.548600       2.433700     -0.5061000    
 H   -4.728300      -3.751800      0.4611000    
 H   -4.407000      -2.537400     -0.7966000    
 H   -4.237300      -2.130200      0.9245000    
 H   -3.232100      -5.190500     -0.6772000    
 H   -2.542500      -4.054900      -1.845200    
 H   -1.517600      -4.918500     -0.6622000    
 H    3.275200       1.691900      -1.689700    
 H    3.383500      -1.145300       1.580800    
 H  -0.8267000       1.090700      -2.071400    
 H  -0.3069000       2.398300       2.004000    
 H   -3.206600       1.393100      -1.891800    
 H   -2.742200       2.714900       2.209600    
 H    5.703100       1.506800      -1.912600    
 H    5.818100      -1.327500       1.314600    
 H    6.990500     -4.1000000E-03 -0.4253000    
 H   -5.232800      0.8990000      -1.110600    
 H   -6.342200       2.155700     -0.5730000    
 H   -5.056800       2.616300      -1.684200    


%chk=000052463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052463

0 1
O 0.354270 -1.647978 -0.427261
O 0.950853 -1.194757 1.781032
O -4.733590 2.492077 -0.716349
N -2.366249 -4.053865 0.663551
C -1.693524 -2.740966 0.530247
C -0.259438 -2.944913 0.005496
C 1.599609 0.347421 -0.032449
C 3.092798 0.312502 -0.060314
C 0.887138 1.409348 -0.533699
C -0.562162 1.656588 -0.564421
C 0.938050 -0.866453 0.567674
C -3.321024 -4.118201 1.787831
C -2.960448 -4.532576 -0.600868
C 3.811280 0.919586 -1.130832
C 3.835668 -0.332434 0.969374
C -1.058338 2.626785 -1.479415
C -1.510361 1.026351 0.298825
C -2.430718 2.933629 -1.578554
C -2.877788 1.326026 0.220818
C -3.349545 2.273507 -0.724770
C 5.220711 0.906046 -1.156808
C 5.246726 -0.346161 0.938161
C 5.948368 0.275056 -0.120174
C -5.271188 3.478926 -1.657080
H -2.241705 -2.045450 -0.150049
H -1.641211 -2.263592 1.524489
H 0.371645 -3.407544 0.782375
H -0.244810 -3.552075 -0.912687
H 1.486953 2.226017 -0.961766
H -3.693185 -5.153238 1.896016
H -4.208211 -3.447636 1.659469
H -2.811892 -3.840891 2.727264
H -3.310619 -5.572942 -0.476811
H -3.827589 -3.910173 -0.938795
H -2.206709 -4.526958 -1.407465
H 3.262034 1.371491 -1.964336
H 3.303858 -0.796784 1.806127
H -0.351523 3.144005 -2.140118
H -1.171719 0.328470 1.069960
H -2.766031 3.679162 -2.305526
H -3.601828 0.854717 0.892541
H 5.751866 1.372706 -1.994239
H 5.798646 -0.839079 1.746443
H 7.043655 0.260473 -0.143298
H -5.072236 3.184624 -2.705888
H -6.355426 3.488770 -1.473663
H -4.850963 4.485586 -1.467055


