%chk=000046253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046253

0 1
 O   -2.178300       1.280700      -1.335600    
 O    3.656800     -6.3299999E-02  0.3019000    
 N   -4.157200     -0.4224000     -0.1816000    
 C   -1.929500      0.6250000     -8.9000002E-02
 C   -2.724200     -0.6986000     -1.9800000E-02
 C  -0.4307000      0.4407000      1.6100001E-02
 C   -2.531600      -1.430600       1.309600    
 C   0.2629000       1.101600       1.014500    
 C   0.2121000     -0.3856000     -0.8888000    
 C    1.643900      0.9312000       1.111000    
 C    1.593100     -0.5563000     -0.7922000    
 C    2.309100      0.1022000      0.2076000    
 C    4.273600     -0.9247000     -0.6536000    
 H   -2.278500       1.306800      0.6968000    
 H   -2.440000      -1.369400     -0.8384000    
 H   -3.155600      -2.330600       1.354300    
 H   -1.493200      -1.752200       1.438900    
 H   -2.797200     -0.7942000       2.161300    
 H  -0.2440000       1.749000       1.724000    
 H  -0.3278000     -0.8974000      -1.679600    
 H   -4.310300      9.0999998E-02  -1.048700    
 H   -4.475800      0.1916000      0.5675000    
 H    2.196300       1.446600       1.892000    
 H    2.046800      -1.212200      -1.527300    
 H   -2.380300      0.6068000      -2.006300    
 H    5.345400     -0.9406000     -0.4302000    
 H    4.165300     -0.5383000      -1.672700    
 H    3.912200      -1.954300     -0.5596000    


%chk=000046253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046253

0 1
O -2.217589 1.064454 -1.573437
O 3.761248 -0.323573 0.390317
N -4.093080 -0.413092 -0.491591
C -1.890219 0.654680 -0.211545
C -2.739514 -0.637570 0.100866
C -0.394084 0.418406 -0.084869
C -2.762821 -0.989392 1.600704
C 0.293232 0.693279 1.125732
C 0.341702 -0.105835 -1.172140
C 1.670305 0.432603 1.256596
C 1.725383 -0.370327 -1.062335
C 2.390528 -0.104997 0.161082
C 4.552729 -0.849580 -0.722938
H -2.200013 1.443289 0.515348
H -2.280138 -1.466082 -0.472018
H -3.337973 -1.915656 1.781333
H -1.739850 -1.138500 1.989005
H -3.231763 -0.173840 2.186120
H -0.251089 1.129566 1.972881
H -0.179253 -0.268686 -2.121247
H -4.544613 -1.262541 -0.844775
H -4.724267 0.113991 0.125128
H 2.209011 0.647359 2.184613
H 2.268082 -0.765067 -1.926917
H -3.170534 0.730732 -1.671281
H 5.577855 -0.934062 -0.332828
H 4.538960 -0.159595 -1.589332
H 4.191063 -1.847464 -1.040371


