%chk=000084962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084962

1 1
 O   0.2366000       2.634600      0.6507000    
 O    3.333100      -1.761600     -0.5741000    
 O   -1.306100      -2.089800     -0.4358000    
 N  -0.9962000      0.1723000      0.1047000    
 N    4.545200      0.6935000     -3.0500000E-02
 N    5.630900      0.8003000     -5.5399999E-02
 C   0.4130000      0.3131000      7.2499998E-02
 C   0.9915000       1.541400      0.3461000    
 C    2.573200     -0.6720000     -0.2719000    
 C    1.184200     -0.7956000     -0.2361000    
 C    2.380300       1.665000      0.3102000    
 C    3.171200      0.5584000      1.0000000E-03
 C   -1.764700     -0.9744000     -0.1404000    
 C   -3.206200     -0.8020000     -5.8400001E-02
 C   0.3551000       3.764000     -0.2116000    
 C    3.218900      -2.890800      0.2896000    
 C   -4.020000      -1.884300      0.2768000    
 C   -3.775300      0.4455000     -0.3144000    
 C  -0.9632000       4.507500     -0.2345000    
 C    4.531500      -3.645000      0.2914000    
 C   -5.402800      -1.719100      0.3557000    
 C   -5.158200      0.6107000     -0.2354000    
 C   -5.971800     -0.4717000      9.9699996E-02
 H   0.7869000      -1.770600     -0.4708000    
 H    2.853800       2.618700      0.5307000    
 H   -1.476000       1.025500      0.3787000    
 H    1.145800       4.419900      0.1686000    
 H   0.6119000       3.455600      -1.232700    
 H    2.980200      -2.580000       1.314300    
 H    2.418200      -3.541500     -7.8199998E-02
 H   -3.596700      -2.863500      0.4852000    
 H   -3.187700       1.307400     -0.6160000    
 H  -0.9044000       5.388900     -0.8792000    
 H   -1.765800       3.856800     -0.5975000    
 H   -1.244200       4.826000      0.7748000    
 H    4.475600      -4.526100      0.9367000    
 H    5.344900      -3.001000      0.6418000    
 H    4.793800      -3.965400     -0.7223000    
 H   -6.036600      -2.561400      0.6174000    
 H   -5.602800       1.579600     -0.4431000    
 H   -7.048700     -0.3435000      0.1595000    


%chk=000084962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084962

1 1
O -0.033294 2.580100 -0.120018
O 3.644736 -1.639662 0.112698
O -1.197399 -2.161341 0.300664
N -0.954413 0.155801 0.060559
N 4.543667 0.853598 -0.082385
N 5.707790 0.951031 -0.110079
C 0.422341 0.251605 0.033971
C 0.954319 1.609045 -0.069878
C 2.692014 -0.661958 0.059978
C 1.301511 -0.859125 0.100486
C 2.324378 1.828767 -0.109180
C 3.200949 0.690511 -0.045706
C -1.746275 -1.030504 0.160606
C -3.221215 -0.830764 0.104229
C 0.365937 4.017939 -0.212533
C 3.219199 -3.083953 0.219692
C -4.031530 -1.937803 0.478975
C -3.843176 0.379385 -0.317068
C -0.914247 4.841347 -0.239260
C 4.492681 -3.914916 0.240482
C -5.434778 -1.833134 0.450837
C -5.248664 0.477733 -0.348112
C -6.046946 -0.624457 0.040361
H 0.860766 -1.853304 0.190084
H 2.749727 2.831112 -0.187544
H -1.440505 1.059772 0.022889
H 0.990944 4.256797 0.670197
H 0.960622 4.149765 -1.137609
H 2.630635 -3.191212 1.149650
H 2.581984 -3.310975 -0.655145
H -3.539175 -2.865209 0.787884
H -3.259627 1.242354 -0.662366
H -0.657423 5.913983 -0.295765
H -1.530939 4.592599 -1.119064
H -1.509177 4.681291 0.675338
H 4.224160 -4.983756 0.315304
H 5.124236 -3.659341 1.107178
H 5.077998 -3.773035 -0.682909
H -6.051704 -2.687464 0.745995
H -5.723179 1.405762 -0.682035
H -7.138530 -0.542985 0.016400


