%chk=000028878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028878

0 1
 O    2.695500      0.1508000     -2.7400000E-02
 O   -1.995900      0.1350000     -0.9094000    
 O    4.041000      -1.754600     -0.4599000    
 O   -2.366500     -0.5656000       1.276500    
 N   -3.820300      -1.170200     -0.4274000    
 C    1.495900      0.7933000     -3.7799999E-02
 C  -0.8787000      0.7849000     -0.4832000    
 C   0.3508000      0.1260000     -0.4724000    
 C    1.411700       2.119400      0.3862000    
 C  -0.9628000       2.111200     -5.9099998E-02
 C   0.1823000       2.778400      0.3756000    
 C    2.717200      -1.209200     -0.4742000    
 C   -2.708400     -0.5444000      9.7800002E-02
 C   -4.747400      -1.946600      0.3626000    
 C    4.585600      -1.808500      0.8521000    
 H   0.3506000     -0.9036000     -0.8145000    
 H    2.300400       2.644300      0.7258000    
 H   -1.917200       2.630700     -6.5800004E-02
 H   0.1168000       3.811000      0.7057000    
 H    2.083000      -1.843600      0.1574000    
 H    2.391700      -1.265000      -1.518900    
 H   -3.997100      -1.079000      -1.423000    
 H   -4.447900      -1.977800       1.412800    
 H   -4.777400      -2.959900     -4.5100000E-02
 H   -5.736600      -1.491400      0.2722000    
 H    3.948600      -2.408000       1.509700    
 H    4.711000     -0.8020000       1.262100    
 H    5.569400      -2.282100      0.7950000    


%chk=000028878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028878

0 1
O 2.662134 0.056440 -0.254049
O -2.300773 0.500800 -0.045496
O 3.925172 -1.926848 -0.188857
O -1.890106 -1.857727 -0.060404
N -4.043347 -0.920592 -0.036959
C 1.458709 0.770418 -0.162252
C -0.957512 0.976890 -0.059226
C 0.184376 0.146937 -0.149404
C 1.587177 2.179536 -0.092777
C -0.858125 2.382126 0.013482
C 0.425653 2.971463 -0.006904
C 2.598761 -1.428599 -0.224602
C -2.670090 -0.873204 -0.049118
C -4.778415 -2.187564 -0.038589
C 4.639245 -1.624009 1.063588
H 0.055321 -0.933462 -0.211049
H 2.586838 2.622462 -0.110496
H -1.768463 2.983501 0.080116
H 0.518166 4.061401 0.045960
H 2.006294 -1.732734 0.668563
H 2.147654 -1.805879 -1.158973
H -4.541301 -0.030225 -0.027996
H -4.043413 -3.007665 -0.046914
H -5.419164 -2.277385 -0.934985
H -5.408329 -2.285665 0.864559
H 4.067470 -1.990272 1.941514
H 4.813212 -0.538141 1.160508
H 5.598154 -2.158503 0.994161


