%chk=000047724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047724

0 1
 O    3.320500       1.408200     -0.4912000    
 O    3.727500      -1.049400      3.5000000E-02
 N    2.357000      -1.258500     -0.1322000    
 C   0.1873000     -8.5800000E-02  7.3299997E-02
 C   -1.750900       1.083200      -1.044300    
 C   -1.926800      0.3805000       1.371600    
 C   -1.925300      -1.362600     -0.4519000    
 C  -0.2178000      0.9895000     -0.9548000    
 C  -0.3928000      0.2895000       1.451500    
 C  -0.3912000      -1.445700     -0.3644000    
 C   -2.316500       1.451600      0.3382000    
 C   -2.315800     -0.2817000      -1.474900    
 C   -2.490500     -0.9805000      0.9273000    
 C    1.683600     -0.1864000      0.1530000    
 C    2.451800       1.048200      0.5636000    
 H   -2.033500       1.847900      -1.776300    
 H   -2.334100      0.6468000       2.353300    
 H   -2.331800      -2.331300     -0.7633000    
 H   0.2001000      0.7484000      -1.941200    
 H   0.1807000       1.975400     -0.6887000    
 H  -1.1000000E-03   1.248500       1.809900    
 H  -0.1018000     -0.4573000       2.202100    
 H  -0.1106000      -2.235500      0.3452000    
 H   1.1300000E-02  -1.744900      -1.341400    
 H   -1.933100       2.430600      0.6509000    
 H   -3.408600       1.539600      0.2844000    
 H   -3.408000     -0.2245000      -1.560300    
 H   -1.932400     -0.5494000      -2.467200    
 H   -2.232700      -1.751100       1.664200    
 H   -3.585600     -0.9355000      0.8834000    
 H    1.808700       1.900500      0.7863000    
 H    3.039700      0.8398000       1.463500    
 H    2.770300       1.691700      -1.241200    
 H    4.089000      -1.917900     -0.2099000    


%chk=000047724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047724

0 1
O 3.036600 1.723701 -0.815950
O 3.764992 -1.286488 0.322760
N 2.308699 -1.347211 0.120708
C 0.228416 -0.099063 0.075208
C -1.738849 1.114655 -1.032560
C -1.935705 0.347723 1.376084
C -1.922847 -1.353211 -0.499387
C -0.191325 1.019093 -0.937762
C -0.389462 0.246491 1.476011
C -0.377959 -1.452458 -0.402160
C -2.319580 1.461466 0.365030
C -2.313013 -0.244319 -1.512744
C -2.513119 -1.009402 0.895534
C 1.755176 -0.154960 0.206489
C 2.542253 1.128448 0.445591
H -2.006334 1.911175 -1.754988
H -2.344261 0.594975 2.375961
H -2.323933 -2.327268 -0.842561
H 0.230373 0.788008 -1.938132
H 0.207944 2.002834 -0.613389
H 0.021014 1.203900 1.855725
H -0.104503 -0.542657 2.199175
H -0.086606 -2.255683 0.299265
H 0.055024 -1.723349 -1.384592
H -1.929185 2.440877 0.709453
H -3.422199 1.553311 0.303261
H -3.415756 -0.177888 -1.602724
H -1.915731 -0.490348 -2.518099
H -2.261359 -1.808644 1.621154
H -3.618842 -0.953573 0.838855
H 1.922663 1.859738 1.002457
H 3.456509 0.913754 1.017565
H 2.264675 1.876628 -1.418844
H 4.022831 -2.238354 0.221104


