%chk=000018294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018294

0 1
 O    1.351300     -0.6891000     -0.1568000    
 O   -1.400600     -0.8089000      0.3351000    
 N    4.671600      0.8373000      0.2640000    
 N   -4.822700      0.5356000      7.5599998E-02
 C    3.296700      0.7011000     -0.1929000    
 C   -3.433100      0.4385000      0.5210000    
 C    2.695200     -0.6066000      0.2967000    
 C   -2.749600     -0.7636000     -0.1109000    
 C   0.7304000      -1.895500      0.2703000    
 C  -0.7039000      -1.915000     -0.2221000    
 C    5.238400       2.115800     -0.1719000    
 C    5.492800     -0.2726000     -0.2258000    
 C   -4.886100      0.6399000      -1.381800    
 C   -5.480400       1.683100      0.6993000    
 H    2.685000       1.527500      0.1923000    
 H    3.220800      0.7552000      -1.287500    
 H   -2.866100       1.350000      0.2874000    
 H   -3.392200      0.3275000       1.612300    
 H    2.715700     -0.6503000       1.392600    
 H    3.225400      -1.475400     -0.1053000    
 H   -2.722700     -0.6928000      -1.202200    
 H   -3.262500      -1.690000      0.1751000    
 H   0.7450000      -1.934800       1.365800    
 H    1.273600      -2.757800     -0.1316000    
 H  -0.7182000      -1.833000      -1.315200    
 H   -1.188800      -2.850300      7.8299999E-02
 H    4.644700       2.951400      0.2153000    
 H    5.279800       2.198300      -1.264100    
 H    6.252100       2.243500      0.2239000    
 H    5.264300      -1.209200      0.2919000    
 H    6.552300     -8.5600004E-02 -1.1600000E-02
 H    5.394800     -0.4211000      -1.307400    
 H   -4.661100     -0.3133000      -1.870200    
 H   -4.223800       1.418500      -1.777600    
 H   -5.907300      0.8819000      -1.702000    
 H   -6.537500       1.724400      0.4139000    
 H   -5.009800       2.632700      0.4194000    
 H   -5.455700       1.594600       1.791200    


%chk=000018294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018294

0 1
O 1.478239 -0.886072 -0.220681
O -1.503426 -0.847331 0.421372
N 4.812924 0.789693 0.079863
N -4.925654 0.584390 -0.087483
C 3.480544 0.424885 -0.458596
C -3.541338 0.431531 0.421543
C 2.786906 -0.644445 0.396996
C -2.814221 -0.752874 -0.230692
C 0.689342 -1.877081 0.514450
C -0.697130 -1.948854 -0.109073
C 5.246671 2.133956 -0.351605
C 5.848086 -0.228893 -0.191150
C -4.983956 1.136169 -1.457211
C -5.782202 1.349034 0.842063
H 2.838277 1.323855 -0.449941
H 3.529349 0.067727 -1.517677
H -2.927682 1.355853 0.280134
H -3.587945 0.235687 1.508167
H 2.670084 -0.273561 1.437364
H 3.372667 -1.590868 0.427731
H -2.677475 -0.602176 -1.324258
H -3.404318 -1.682580 -0.076954
H 0.596347 -1.592675 1.584972
H 1.184978 -2.873030 0.454999
H -0.605756 -1.875002 -1.214735
H -1.177454 -2.922069 0.141162
H 4.493090 2.883392 -0.051958
H 5.401796 2.220637 -1.457747
H 6.200052 2.391835 0.144428
H 5.546370 -1.206480 0.222441
H 6.793212 0.065190 0.299648
H 6.053011 -0.365343 -1.284535
H -4.424242 0.493097 -2.157566
H -4.564710 2.172840 -1.530182
H -6.034659 1.167360 -1.797262
H -6.820315 1.361830 0.463124
H -5.454935 2.411487 0.980712
H -5.786728 0.860786 1.832639


