%chk=000048754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048754

0 1
 O  -6.4499997E-02   1.956000     -0.9066000    
 O   -1.117900      -2.130900      0.9999000    
 O    3.194500      -1.296500     -0.2853000    
 N    1.654800      0.4496000     -0.4652000    
 N    1.048700      -1.661600      0.4099000    
 C  -0.5128000      0.1936000      0.6809000    
 C   -1.999400      0.4574000      0.3940000    
 C   -2.440900     -3.5300002E-02 -0.9887000    
 C  -0.1686000      0.7322000       2.081400    
 C   0.3514000      0.9529000     -0.3239000    
 C  -0.2590000      -1.304800      0.6946000    
 C   -1.638800      0.6021000      -2.124100    
 C   -2.304800      -1.558500      -1.051100    
 C  -0.4250000       2.219800       2.166700    
 C    2.056200     -0.8530000     -0.1116000    
 C    2.626100       1.277300      -1.170700    
 H   -2.630300     -8.8000000E-03   1.162900    
 H   -2.233300       1.527500      0.4192000    
 H   -3.499200      0.2236000      -1.121200    
 H   0.8844000      0.5411000       2.325200    
 H  -0.7579000      0.2147000       2.849200    
 H  -0.6334000      0.2075000      -2.283200    
 H   -1.742200       1.689900      -2.157200    
 H   -2.141900      0.2979000      -3.056200    
 H   -1.306400      -1.939000      -1.275500    
 H   -2.864400      -1.874700      -1.946200    
 H   -2.846900      -2.067900     -0.2498000    
 H   0.1494000       2.806800       1.446200    
 H   -1.482600       2.481900       2.086300    
 H  -0.1100000       2.570400       3.157300    
 H    1.287000      -2.640400      0.5442000    
 H    3.632000       1.107000     -0.7762000    
 H    2.377100       2.338200      -1.078500    
 H    2.609000      0.9954000      -2.228100    


%chk=000048754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048754

0 1
O 0.350949 2.262748 -0.415721
O -0.842199 -1.989854 1.625622
O 3.033168 -1.528492 -0.862394
N 1.718168 0.397560 -0.591551
N 1.053697 -1.693720 0.344111
C -0.428454 0.278206 0.777274
C -1.906398 0.480512 0.293494
C -2.366419 -0.084804 -1.085381
C -0.273445 0.863801 2.254723
C 0.545480 1.051434 -0.125064
C -0.121050 -1.214932 0.944361
C -1.624754 0.523811 -2.301315
C -2.383970 -1.630871 -1.180138
C -0.715673 2.323416 2.471667
C 2.003322 -0.971592 -0.401908
C 2.688504 1.176357 -1.400217
H -2.549846 0.043361 1.081267
H -2.077841 1.571615 0.283403
H -3.424378 0.248849 -1.157841
H 0.787561 0.750342 2.557252
H -0.864295 0.190171 2.903174
H -0.584325 0.152239 -2.372602
H -1.585336 1.626062 -2.249514
H -2.134380 0.234356 -3.238910
H -1.364013 -2.050530 -1.264839
H -2.937759 -1.946137 -2.084019
H -2.863580 -2.090987 -0.298414
H -0.210348 3.015186 1.778192
H -1.804772 2.445409 2.343441
H -0.468586 2.622988 3.506923
H 1.275697 -2.685254 0.483355
H 3.702919 0.807444 -1.191196
H 2.583276 2.236666 -1.131337
H 2.479480 1.056043 -2.477300


