%chk=000002868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002868

0 1
 O    2.664800      -1.313800      -1.908900    
 O    1.119100      -2.794500      0.2091000    
 N    4.071300      0.5877000       1.996000    
 N   -5.483800      -1.392600      0.7812000    
 N   6.3199997E-02 -0.7885000     -0.4214000    
 C    4.546000      0.2259000     -0.1536000    
 C   -4.701500      0.4931000     -0.1183000    
 C    5.015200      0.8183000       1.020700    
 C    3.304600     -0.3545000      0.1669000    
 C   -5.857200     -0.1433000      0.3394000    
 C   -3.623200     -0.4172000      6.4499997E-02
 C    3.024500     -0.1283000       1.480100    
 C   -4.135700      -1.567300      0.6192000    
 C    5.332000      0.3160000      -1.319600    
 C    6.236000       1.499100       1.087700    
 C   -4.805600       1.801600     -0.6308000    
 C   -7.116800      0.4657000      0.3101000    
 C    2.416300      -1.094000     -0.7268000    
 C   -2.260200     -0.2226000     -0.2496000    
 C    6.555300      0.9939000      -1.267600    
 C    6.998500       1.575600     -8.1400000E-02
 C   -6.059000       2.423300     -0.6663000    
 C   -7.195600       1.763800     -0.2025000    
 C    1.114100      -1.662800     -0.2486000    
 C   -1.222300      -1.084500     -7.9599999E-02
 H    4.141800      0.9018000       2.954100    
 H    2.189000     -0.3999000       2.110400    
 H   -6.114500      -2.080600       1.169000    
 H   -3.676700      -2.499900      0.9181000    
 H    5.007300     -0.1293000      -2.255300    
 H    6.581900       1.952200       2.010700    
 H   -3.931500       2.332400     -0.9970000    
 H   -8.002200     -4.6900000E-02  0.6708000    
 H   -2.009100      0.7446000     -0.6850000    
 H    7.165800       1.066700      -2.163800    
 H    7.952000       2.097300     -6.3500002E-02
 H   -6.145300       3.432400      -1.060400    
 H   -8.159200       2.265500     -0.2394000    
 H   -1.377300      -2.069900      0.3471000    
 H   0.2439000      0.1267000     -0.8263000    


%chk=000002868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002868

0 1
O 2.078322 1.091279 -0.935707
O 1.038831 -1.172216 1.677422
N 5.275563 -1.007058 1.735378
N -5.758071 -1.139491 1.229396
N -0.134338 0.115314 0.103549
C 4.859761 0.429682 0.002861
C -5.135925 0.361751 -0.373574
C 5.901927 -0.174499 0.781050
C 3.588493 -0.071706 0.526175
C -6.265538 -0.260740 0.262268
C -3.926402 -0.174582 0.246960
C 3.903175 -0.949446 1.588108
C -4.361225 -1.090088 1.221621
C 5.207697 1.322999 -1.040528
C 7.269785 0.079137 0.557105
C -5.367489 1.309363 -1.403965
C -7.598829 0.032137 -0.097801
C 2.268840 0.276252 0.039633
C -2.565196 0.196794 -0.109727
C 6.574686 1.584138 -1.273520
C 7.592669 0.972203 -0.487299
C -6.694331 1.608231 -1.770724
C -7.798619 0.976664 -1.125083
C 1.024294 -0.346741 0.707072
C -1.422030 -0.269511 0.487479
H 5.763201 -1.568857 2.431535
H 3.209814 -1.508500 2.212271
H -6.318855 -1.727321 1.842315
H -3.778310 -1.707371 1.902705
H 4.421815 1.788699 -1.640262
H 8.053721 -0.390812 1.160977
H -4.531941 1.805592 -1.910366
H -8.449134 -0.450776 0.396560
H -2.464231 0.917918 -0.933860
H 6.863077 2.272014 -2.075889
H 8.644147 1.197978 -0.696166
H -6.886679 2.338064 -2.564786
H -8.818909 1.230626 -1.433046
H -1.428901 -0.982936 1.317876
H 0.031038 0.779015 -0.668612


