%chk=000023055.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023055

0 1
 O    5.505500      -1.194800       1.085800    
 O   -5.530900       1.184800       1.047000    
 N    6.417000      0.8093000     -0.5467000    
 N   -6.373400     -0.8899000     -0.5335000    
 N    3.737000      -1.580900     -0.3710000    
 N   -3.772300       1.590200     -0.4167000    
 C    6.649500       1.880300      -1.507000    
 C    5.653700       2.041600     -0.3958000    
 C   -5.570900      -2.092300     -0.3493000    
 C   -6.568900      -1.992700      -1.465800    
 C    5.593400     -0.2393000      -1.131200    
 C   -5.582900      0.1693000      -1.144200    
 C  -1.9600000E-02  5.4499999E-02   1.309200    
 C   0.9720000     -0.7406000      0.4572000    
 C  -0.9871000      0.8557000      0.4355000    
 C    1.958100      -1.518200       1.333900    
 C   -1.997900       1.626500       1.289700    
 C    4.973500      -1.051900     -1.2900000E-02
 C   -4.992200       1.030500     -4.6900000E-02
 C    2.923500      -2.368500      0.5142000    
 C   -2.987000       2.426300      0.4484000    
 H    7.597700       2.393400      -1.414300    
 H    6.284400       1.763000      -2.519000    
 H    4.599200       2.042600     -0.6395000    
 H    5.931700       2.662400      0.4459000    
 H   -4.516400      -2.065500     -0.5914000    
 H   -5.830600      -2.699600      0.5080000    
 H   -7.500200      -2.533700      -1.361000    
 H   -6.205500      -1.890200      -2.479900    
 H    4.811500      0.1232000      -1.812500    
 H    6.229900     -0.9219000      -1.707100    
 H   -4.788100     -0.1853000      -1.814800    
 H   -6.240000      0.8156000      -1.738700    
 H   0.5276000      0.7373000       1.970500    
 H  -0.5849000     -0.6331000       1.950000    
 H    1.516400     -5.1100001E-02 -0.1989000    
 H   0.4244000      -1.438300     -0.1880000    
 H   -1.510900      0.1680000     -0.2388000    
 H  -0.4243000       1.558200     -0.1910000    
 H    1.403100      -2.174400       2.015100    
 H    2.524400     -0.8134000       1.955400    
 H   -2.546500      0.9214000       1.926800    
 H   -1.463400       2.313500       1.956600    
 H    2.372100      -3.087200     -0.1012000    
 H    3.575600      -2.934700       1.188100    
 H   -3.658000       2.988700       1.106800    
 H   -2.456500       3.145600     -0.1845000    
 H    3.378100      -1.410700      -1.305900    
 H   -3.406700       1.408300      -1.346800    


%chk=000023055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023055

0 1
O 6.118815 -0.231108 1.685429
O -6.109368 0.262100 1.601764
N 5.181314 1.126623 -1.606760
N -5.157964 -1.173988 -1.653002
N 4.231374 -0.474964 0.314069
N -4.230276 0.498338 0.218261
C 5.724435 1.971220 -2.729767
C 5.880994 0.458044 -2.766485
C -5.871123 -0.545692 -2.827257
C -5.693778 -2.055081 -2.751308
C 5.924922 1.173295 -0.317665
C -5.897236 -1.196191 -0.360719
C -0.014052 0.047203 1.877970
C 1.187336 -0.464285 1.051176
C -1.200418 0.521906 1.008793
C 2.357748 -0.955580 1.931969
C -2.385935 1.049557 1.847463
C 5.442919 0.079244 0.655860
C -5.431083 -0.066749 0.579496
C 3.564096 -1.499184 1.129473
C -3.579367 1.556639 1.003044
H 4.974212 2.462462 -3.356507
H 6.627736 2.564852 -2.534836
H 6.883667 0.046630 -2.589816
H 5.241633 -0.143723 -3.419275
H -6.878537 -0.143240 -2.657204
H -5.242338 0.047072 -3.498273
H -4.939245 -2.552310 -3.368072
H -6.587976 -2.655832 -2.537149
H 7.026880 1.064553 -0.422841
H 5.732399 2.153526 0.158667
H -7.001142 -1.108648 -0.465509
H -5.687393 -2.159208 0.142657
H 0.320052 0.881268 2.529684
H -0.360078 -0.758307 2.558774
H 1.538577 0.350321 0.383947
H 0.852296 -1.292590 0.390924
H -1.540031 -0.320433 0.370790
H -0.853464 1.321603 0.319953
H 1.997929 -1.766066 2.598729
H 2.707968 -0.134729 2.587844
H -2.747264 0.257233 2.531878
H -2.037760 1.887981 2.485307
H 3.231887 -2.325887 0.469728
H 4.327210 -1.896162 1.822219
H -4.354467 1.978621 1.667168
H -3.238805 2.356751 0.315660
H 3.812622 -0.109234 -0.550814
H -3.805719 0.114145 -0.635638


