%chk=000006469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006469

0 1
 O   -1.270300      -1.840700      0.4626000    
 O  -0.2371000      -2.166800      -1.577800    
 N    3.441500      0.1047000      0.6480000    
 C   0.1930000     -0.1547000     -0.2917000    
 C    1.056700      0.2425000      -1.515900    
 C    1.026600     -0.3932000      0.9948000    
 C    2.427500     -0.4307000      -1.610200    
 C    2.185800      0.5819000       1.241400    
 C    3.514000      0.2873000     -0.8055000    
 C  -0.9372000      0.8849000     -0.1498000    
 C  -0.4467000      -1.504300     -0.5707000    
 C    4.583000      0.7740000       1.281600    
 C   -1.805100       1.106700      -1.212800    
 C   -1.077100       1.590600       1.039500    
 C   -2.827200       2.047300      -1.084400    
 C   -2.099200       2.531100       1.167800    
 C   -2.974300       2.759500      0.1059000    
 C   -1.942400      -3.097000      0.3292000    
 C   -2.811600      -3.323100       1.547800    
 H    1.206400       1.331500      -1.531500    
 H   0.5198000      1.9700000E-02  -2.448300    
 H    1.453900      -1.408700      0.9710000    
 H   0.3875000     -0.4290000       1.887000    
 H    2.379400      -1.492000      -1.341300    
 H    2.736900     -0.4012000      -2.663400    
 H    1.944300       1.602800      0.9218000    
 H    2.312300      0.6246000       2.331600    
 H    4.474900     -0.1162000      -1.151700    
 H    3.516400       1.354900      -1.063500    
 H    4.600900      0.5722000       2.358600    
 H    4.557800       1.859600       1.133000    
 H    5.528700      0.3911000      0.8813000    
 H   -1.716700      0.5585000      -2.146000    
 H  -0.4194000       1.472000       1.891500    
 H   -3.509900       2.223900      -1.910500    
 H   -2.212000       3.089100       2.092800    
 H   -3.769800       3.492200      0.2056000    
 H   -2.565000      -3.083600     -0.5724000    
 H   -1.201700      -3.900300      0.2483000    
 H   -3.341900      -4.277000       1.478900    
 H   -2.205000      -3.320400       2.459400    
 H   -3.545400      -2.516900       1.652200    


%chk=000006469-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006469

0 1
O -1.184874 -2.016592 0.499107
O -0.747193 -1.947880 -1.778855
N 3.420875 0.120704 0.715789
C 0.136471 -0.134939 -0.294755
C 1.052805 0.249313 -1.503934
C 0.963671 -0.364871 1.008245
C 2.421414 -0.472696 -1.564551
C 2.130455 0.621953 1.260547
C 3.542663 0.220685 -0.758726
C -0.959887 0.959115 -0.152159
C -0.613484 -1.446152 -0.636875
C 4.584629 0.743685 1.381401
C -1.878727 1.160086 -1.218678
C -1.058854 1.801546 0.983082
C -2.864229 2.167634 -1.150460
C -2.042594 2.814954 1.051796
C -2.950562 3.004059 -0.013319
C -2.005783 -3.247120 0.277635
C -2.524715 -3.679638 1.644853
H 1.227197 1.342271 -1.470360
H 0.487832 0.046116 -2.430704
H 1.420462 -1.369578 0.978105
H 0.272728 -0.377019 1.868727
H 2.330894 -1.531013 -1.255619
H 2.752512 -0.485615 -2.621565
H 1.885960 1.645709 0.878731
H 2.267105 0.719179 2.354491
H 4.514801 -0.234213 -1.033471
H 3.584932 1.295598 -1.086952
H 4.524938 0.578986 2.472234
H 4.668280 1.846334 1.201451
H 5.515157 0.272715 1.015567
H -1.827895 0.516841 -2.105444
H -0.373326 1.674214 1.825748
H -3.564690 2.298703 -1.983195
H -2.098761 3.455090 1.939898
H -3.714228 3.787946 0.041740
H -2.820127 -2.995881 -0.426236
H -1.365118 -4.012166 -0.197316
H -3.148775 -4.585847 1.538497
H -1.690202 -3.910473 2.328962
H -3.139458 -2.884943 2.100769


