%chk=000028759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028759

0 1
 O    1.188000       1.738200       2.672500    
 O    4.286600       1.779800      -1.816700    
 O    4.463300      -2.215800      0.8172000    
 O    5.492800     -0.6391000      -1.212800    
 N   -2.958500     -2.2200000E-02  0.3387000    
 N  -0.2856000      0.6914000       1.193700    
 C   -1.824700     -0.9116000      7.2700001E-02
 C   -2.705900       1.219200       1.075600    
 C  -0.5208000     -0.1175000     -6.5000001E-03
 C   -1.467700       1.078700       1.957900    
 C   -4.244400     -0.3540000     -8.1000000E-02
 C   0.9772000       1.060300       1.667700    
 C   -5.190500      0.6432000     -0.4170000    
 C    2.159600      0.6151000      0.9129000    
 C   -4.658800      -1.702600     -0.1892000    
 C   -6.478100      0.3103000     -0.8376000    
 C   -5.946400      -2.035400     -0.6098000    
 C    2.760100     -0.6017000       1.222800    
 C    2.670600       1.413600     -0.1065000    
 C   -6.856000      -1.029000     -0.9340000    
 C    3.791500      0.9917000     -0.8218000    
 C    3.881000      -1.023600      0.5078000    
 C   -7.451200       1.385800      -1.183700    
 C    4.396700     -0.2270000     -0.5146000    
 C    3.768800       1.569000      -3.128700    
 C    3.985400      -3.368800      0.1272000    
 C    6.767000     -0.2479000     -0.7066000    
 H   -1.956600      -1.440000     -0.8794000    
 H   -1.758200      -1.661100      0.8708000    
 H   -3.556300       1.469900       1.721300    
 H   -2.565300       2.040700      0.3626000    
 H   0.3121000     -0.8037000     -0.1799000    
 H  -0.5534000      0.5810000     -0.8518000    
 H   -1.275200       2.016500       2.490400    
 H   -1.624200      0.3004000       2.715200    
 H   -4.915100       1.694600     -0.3597000    
 H   -3.980200      -2.512800      6.7900002E-02
 H   -6.241900      -3.078100     -0.6816000    
 H    2.360200      -1.224400       2.019500    
 H    2.200900       2.364300     -0.3473000    
 H   -7.856900      -1.301900      -1.257900    
 H   -8.225700       1.019700      -1.866200    
 H   -7.936200       1.759800     -0.2765000    
 H   -6.949900       2.220000      -1.686300    
 H    3.974100      0.5478000      -3.464700    
 H    4.264100       2.267300      -3.808900    
 H    2.691600       1.762700      -3.151300    
 H    4.549500      -4.236900      0.4788000    
 H    4.140200      -3.264300     -0.9513000    
 H    2.924000      -3.530800      0.3406000    
 H    6.856800      0.8428000     -0.6899000    
 H    7.537200     -0.6515000      -1.369500    
 H    6.923500     -0.6529000      0.2981000    


%chk=000028759-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028759

0 1
O 0.866539 0.588045 2.902131
O 3.593692 1.159830 -2.365412
O 5.246212 -1.621307 1.392257
O 5.718518 -0.422544 -1.192320
N -3.231683 0.069900 0.148474
N -0.468271 0.476602 1.014003
C -2.144656 -0.823840 -0.286906
C -2.851770 1.205425 1.009679
C -0.803437 -0.062780 -0.324811
C -1.621912 0.862705 1.866871
C -4.558951 -0.137506 -0.262466
C 0.772565 0.398783 1.643565
C -5.549052 0.880982 -0.098664
C 2.003815 0.117431 0.820175
C -4.959666 -1.371642 -0.861542
C -6.889765 0.685798 -0.501150
C -6.294072 -1.557532 -1.274316
C 3.026747 -0.656219 1.420440
C 2.211523 0.669432 -0.466918
C -7.263005 -0.545260 -1.100451
C 3.436232 0.477364 -1.146332
C 4.237028 -0.877669 0.738952
C -7.921777 1.781965 -0.286143
C 4.473995 -0.282029 -0.535434
C 4.078580 0.379662 -3.525852
C 5.656808 -2.864871 0.699797
C 6.840402 0.270640 -0.505823
H -2.355634 -1.185208 -1.311547
H -2.048828 -1.717818 0.368431
H -3.684090 1.431881 1.701465
H -2.656674 2.127749 0.418095
H -0.004539 -0.746764 -0.653989
H -0.880213 0.752886 -1.071927
H -1.327847 1.729369 2.483577
H -1.863907 0.040748 2.569716
H -5.269292 1.852817 0.322337
H -4.246045 -2.192989 -0.978019
H -6.580923 -2.512916 -1.729708
H 2.889361 -1.066417 2.424544
H 1.462653 1.303029 -0.950667
H -8.297423 -0.705175 -1.425380
H -8.623769 1.845874 -1.136902
H -8.525277 1.585994 0.621547
H -7.446954 2.770947 -0.160294
H 5.066366 -0.062628 -3.318823
H 4.139249 1.106631 -4.349874
H 3.350450 -0.415196 -3.779579
H 6.463385 -3.288515 1.317068
H 6.021729 -2.648521 -0.320158
H 4.806687 -3.571868 0.656225
H 6.649841 1.358943 -0.481118
H 7.732365 0.054698 -1.113314
H 6.963788 -0.119715 0.519692


