%chk=000005572.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005572

0 1
 O    1.583400     -0.2763000       2.040100    
 N   -2.791100      0.4138000      4.7899999E-02
 C    1.390800      -1.232700     -0.1198000    
 C   0.9871000     -4.1299999E-02  0.7469000    
 C    2.918800      -1.350200     -0.2018000    
 C   0.7712000      -2.529300      0.4187000    
 C  -0.5525000      8.9999998E-04  0.9629000    
 C    3.347500      -2.566200      -1.019800    
 C    1.203700      -3.743400     -0.4002000    
 C    2.722900      -3.851900     -0.4869000    
 C   -1.363100      0.4141000     -0.2687000    
 C    1.517500       1.316600      0.2789000    
 C   -3.230100     -0.9324000      0.4415000    
 C   -3.570600      0.9145000      -1.092900    
 C   -4.711200     -0.9402000      0.8237000    
 C   -5.062600      0.9670000     -0.7611000    
 C   -5.577800     -0.3935000     -0.3050000    
 C    1.726800       1.512900      -1.066400    
 C    1.763500       2.287400       1.221900    
 C    2.209800       2.749900      -1.492900    
 C    2.246500       3.524500      0.7953000    
 C    2.469500       3.755800     -0.5622000    
 H    1.004900      -1.117700      -1.140100    
 H    3.352800      -1.449300      0.8013000    
 H    3.381900     -0.4683000     -0.6525000    
 H  -0.3209000      -2.510700      0.3608000    
 H    1.047900      -2.704800       1.464300    
 H  -0.8693000     -0.9266000       1.435400    
 H  -0.7550000      0.7474000       1.748000    
 H    4.439800      -2.654900      -1.004200    
 H    3.053800      -2.423300      -2.067100    
 H   0.7856000      -3.670000      -1.411900    
 H   0.7945000      -4.656200      4.7600001E-02
 H    2.996500      -4.691500      -1.135600    
 H    3.130200      -4.070300      0.5080000    
 H   -1.152700     -0.2558000      -1.110800    
 H   -1.075000       1.427100     -0.5698000    
 H   -3.051900      -1.656000     -0.3649000    
 H   -2.722500      -1.301300       1.334200    
 H   -3.243900       1.929400      -1.350500    
 H   -3.413100      0.2864000      -1.979700    
 H    1.022500     -0.8890000       2.543700    
 H   -4.862300     -0.3341000       1.726300    
 H   -5.026300      -1.961200       1.067800    
 H   -5.625900       1.299500      -1.640400    
 H   -5.237300       1.707700      2.9700000E-02
 H   -5.562400      -1.092800      -1.149900    
 H   -6.618700     -0.3102000      2.6000001E-02
 H    1.513100      0.7710000      -1.825800    
 H    1.581600       2.138200       2.281300    
 H    2.377500       2.932800      -2.550400    
 H    2.444600       4.309400       1.519300    
 H    2.843200       4.719800     -0.8945000    


%chk=000005572-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005572

0 1
O 1.570623 -0.244484 2.203123
N -2.837064 0.240217 -0.020411
C 1.485890 -1.300595 -0.053374
C 0.993924 -0.102691 0.835126
C 3.034219 -1.346632 -0.149395
C 0.945587 -2.674054 0.432013
C -0.561691 -0.056376 1.010883
C 3.523878 -2.505891 -1.048415
C 1.434055 -3.834469 -0.470101
C 2.976283 -3.868754 -0.565691
C -1.391953 0.029480 -0.287483
C 1.493313 1.262882 0.328122
C -3.517262 -0.974548 0.495483
C -3.546878 0.782253 -1.208542
C -4.975853 -0.669004 0.895261
C -5.003804 1.152108 -0.864273
C -5.758983 -0.070857 -0.295599
C 1.529223 1.580593 -1.054625
C 1.865270 2.265809 1.259047
C 1.925075 2.863485 -1.494978
C 2.263289 3.548230 0.820995
C 2.293244 3.855948 -0.558534
H 1.085017 -1.144000 -1.078040
H 3.446215 -1.462053 0.872585
H 3.417795 -0.384160 -0.534621
H -0.161103 -2.674141 0.457638
H 1.299193 -2.865496 1.468595
H -0.867465 -0.949756 1.592694
H -0.803551 0.826185 1.630673
H 4.630999 -2.522988 -1.067107
H 3.190271 -2.330492 -2.093058
H 1.009642 -3.704512 -1.487680
H 1.048080 -4.798066 -0.083756
H 3.299904 -4.680182 -1.246407
H 3.399593 -4.097978 0.434262
H -1.223399 -0.884395 -0.916433
H -1.035812 0.896316 -0.873806
H -3.510867 -1.792145 -0.277052
H -2.963290 -1.350389 1.374371
H -3.001008 1.678401 -1.558039
H -3.549127 0.040157 -2.052710
H 1.142495 -1.029421 2.629612
H -4.967897 0.054548 1.733026
H -5.460757 -1.597047 1.255406
H -5.509790 1.538576 -1.770098
H -4.993208 1.964023 -0.111764
H -5.865948 -0.839352 -1.089529
H -6.781465 0.214463 0.016791
H 1.262143 0.825439 -1.802767
H 1.854096 2.017733 2.323545
H 1.948174 3.084947 -2.568250
H 2.551796 4.306930 1.557773
H 2.602089 4.850902 -0.898787


