%chk=000037089.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037089

1 1
 O    2.589100      -1.497600      0.2434000    
 O    1.818800      -1.208900      -1.911000    
 N    2.661700       1.392100      0.1076000    
 N   -2.197600      -1.951600      0.5326000    
 C    1.496300      0.5287000     -0.2432000    
 C   0.5467000      0.4193000      0.9575000    
 C    3.540800       1.634000      -1.123600    
 C    2.184900       2.748900      0.6357000    
 C    3.517500      0.7256000       1.189500    
 C  -0.7354000     -0.3254000      0.6996000    
 C    1.974700     -0.8101000     -0.7642000    
 C   -1.939000      0.2460000      0.2483000    
 C  -0.9024000      -1.664000      0.8702000    
 C   -2.854300     -0.8040000      0.1490000    
 C   -2.360100       1.547200     -9.0700001E-02
 C   -4.175100     -0.6170000     -0.2740000    
 C   -3.678400       1.749200     -0.5154000    
 C   -4.570300      0.6823000     -0.6049000    
 C    3.082200      -2.794600     -0.1063000    
 H   0.9676000       1.024100      -1.069600    
 H    1.013600     -8.6400002E-02   1.809400    
 H   0.2415000       1.403300       1.326400    
 H    3.940700      0.6813000      -1.481200    
 H    2.927700       2.111500      -1.893600    
 H    4.366300       2.291200     -0.8330000    
 H    3.037600       3.436100      0.6309000    
 H    1.401300       3.128500     -2.6500000E-02
 H    1.836500       2.643300       1.666600    
 H    2.919000      0.3504000       2.017900    
 H    4.174800     -2.7000001E-02  0.7475000    
 H    4.179700       1.504000       1.589100    
 H  -0.2327000      -2.446800       1.198000    
 H   -2.612500      -2.872700      0.5607000    
 H   -1.677500       2.389900     -2.8500000E-02
 H   -4.870100      -1.446900     -0.3440000    
 H   -4.008600       2.750600     -0.7786000    
 H   -5.589500      0.8619000     -0.9373000    
 H    3.837100      -2.712600     -0.8940000    
 H    2.257800      -3.439500     -0.4250000    
 H    3.547100      -3.231700      0.7814000    


%chk=000037089-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037089

1 1
O 2.545773 -1.607708 0.115732
O 1.612774 -0.996153 -1.933609
N 2.645094 1.507469 0.180728
N -2.240242 -2.069585 0.606954
C 1.411692 0.534009 -0.010654
C 0.635106 0.225685 1.296844
C 3.496801 1.515985 -1.091715
C 2.114352 2.923783 0.407210
C 3.514895 1.093845 1.367327
C -0.657431 -0.465065 0.933087
C 1.849569 -0.757665 -0.733848
C -1.828546 0.163729 0.344199
C -0.950397 -1.824451 1.077098
C -2.807490 -0.871654 0.148404
C -2.156639 1.498573 -0.018364
C -4.081886 -0.615803 -0.402384
C -3.425747 1.761094 -0.567136
C -4.375761 0.714316 -0.760489
C 2.950839 -2.925581 -0.465311
H 0.753921 1.063843 -0.722245
H 1.243615 -0.419386 1.951368
H 0.414920 1.163808 1.842602
H 4.023171 0.555204 -1.183702
H 2.845054 1.665517 -1.965543
H 4.230213 2.333780 -1.017549
H 2.966682 3.593417 0.600414
H 1.576411 3.254358 -0.494396
H 1.437177 2.930315 1.272515
H 2.951866 1.242582 2.299415
H 3.782040 0.033435 1.256918
H 4.416475 1.726038 1.372889
H -0.340155 -2.622017 1.497540
H -2.707116 -2.974722 0.615035
H -1.451126 2.323922 0.144028
H -4.819626 -1.412181 -0.545459
H -3.698914 2.784067 -0.846405
H -5.354503 0.952253 -1.189351
H 3.602146 -2.768754 -1.340315
H 2.049981 -3.480175 -0.772233
H 3.482514 -3.437529 0.347102


