%chk=000016886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016886

0 1
 O    1.342000     -0.7069000      0.4448000    
 O    3.356700       1.775500      -1.186400    
 O    3.507800      -2.469800      9.7999997E-02
 O   -1.669400      0.5150000       2.344600    
 N  -0.8091000      0.1990000      0.2358000    
 N   -3.130700     -2.5500000E-02  0.6857000    
 N   -2.303700     -0.3609000      -1.496000    
 N   -4.601700     -0.5770000      -1.022700    
 C    2.640100       1.180700     -0.1250000    
 C    1.186700       1.589900     -0.1429000    
 C    2.527100     -0.3279000     -0.2751000    
 C   0.5384000      0.4669000      0.6457000    
 C    3.722800      -1.081400      0.2796000    
 C   -1.862800      0.2448000       1.158700    
 C   -1.113900     -0.1109000      -1.070100    
 C   -3.330400     -0.3117000     -0.5746000    
 H    3.099300       1.464400      0.8295000    
 H    1.017300       2.569900      0.3159000    
 H   0.8314000       1.675000      -1.176000    
 H    2.373500     -0.6136000      -1.323800    
 H   0.5869000      0.6950000       1.716100    
 H    3.849700     -0.9013000       1.352100    
 H    4.645600     -0.8030000     -0.2373000    
 H    4.259400       1.415300      -1.169300    
 H  -0.2573000     -0.1548000      -1.758100    
 H    2.683700      -2.702500      0.5592000    
 H   -4.780300     -0.8013000      -1.995500    
 H   -5.396400     -0.5561000     -0.3929000    


%chk=000016886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016886

0 1
O 1.404988 -0.801294 0.395208
O 3.207960 2.075977 -1.026586
O 3.569589 -2.538803 -0.314718
O -1.626299 1.697274 1.741794
N -0.843968 0.072650 0.240077
N -3.198646 0.607225 0.355161
N -2.329292 -1.070038 -1.235238
N -4.601343 -0.537296 -1.119457
C 2.655717 1.228215 0.028266
C 1.176292 1.607056 0.229004
C 2.579550 -0.269972 -0.366248
C 0.525985 0.316278 0.778437
C 3.775354 -1.133687 0.034258
C -1.930702 0.864635 0.846153
C -1.110094 -0.838585 -0.750131
C -3.347215 -0.303538 -0.632019
H 3.225946 1.337354 0.976325
H 1.025073 2.458175 0.907316
H 0.752699 1.866016 -0.757529
H 2.377754 -0.356590 -1.453079
H 0.425850 0.333832 1.876430
H 3.965963 -1.011760 1.122562
H 4.674816 -0.824797 -0.527686
H 4.195113 2.003974 -1.037871
H -0.261101 -1.410273 -1.133502
H 2.736034 -2.838822 0.131352
H -4.726180 -1.224367 -1.859164
H -5.387142 -0.022038 -0.729113


