%chk=000022748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022748

0 1
 I    4.731000       1.580400     -0.6470000    
 I   -4.752700       1.552800      0.6494000    
 O    1.547500     -0.7089000      0.9898000    
 O   -1.537800     -0.6837000     -0.9991000    
 O    1.718700       1.488100      0.3229000    
 O   -1.725700       1.494400     -0.2765000    
 C   0.1404000     -0.7474000      0.7606000    
 C  -0.1341000     -0.7245000     -0.7495000    
 C  -0.4291000      -1.990200       1.434700    
 C   0.4483000      -1.934100      -1.471300    
 C    2.207200      0.3774000      0.4726000    
 C   -2.208500      0.3868000     -0.4632000    
 C    3.617800     -4.4000000E-02  0.1331000    
 C   -3.622800     -4.7200002E-02 -0.1566000    
 H  -0.3049000      0.1169000       1.266200    
 H   0.3072000      0.1585000      -1.225000    
 H   9.1799997E-02  -2.899200       1.116600    
 H   -1.500200      -2.108600       1.251300    
 H  -0.2760000      -1.924800       2.518100    
 H    1.519100      -2.054100      -1.288800    
 H  -6.7800000E-02  -2.858600      -1.192400    
 H   0.2991000      -1.826200      -2.552000    
 H    3.573400     -0.8518000     -0.6036000    
 H    4.095600     -0.4187000       1.044000    
 H   -3.586000     -0.8742000      0.5591000    
 H   -4.085600     -0.3990000      -1.084200    


%chk=000022748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022748

0 1
I 4.260184 1.849207 -0.818052
I -4.271179 1.821797 0.857779
O 1.827860 -0.625505 0.237168
O -1.823120 -0.626723 -0.253050
O 2.352213 0.460108 2.242659
O -2.348444 0.523011 -2.222404
C 0.387634 -0.737629 0.659642
C -0.382282 -0.720801 -0.677713
C 0.197694 -1.984669 1.526715
C -0.187709 -1.942926 -1.578561
C 2.691365 0.022317 1.120973
C -2.687776 0.047502 -1.116376
C 4.083032 0.101547 0.534277
C -4.080033 0.102152 -0.528430
H 0.134337 0.170846 1.237005
H -0.132679 0.204090 -1.230075
H 0.584472 -2.886826 1.023143
H -0.878035 -2.126579 1.730653
H 0.720414 -1.862184 2.489647
H 0.888356 -2.075228 -1.787036
H -0.570980 -2.859920 -1.099729
H -0.711550 -1.795989 -2.537489
H 4.319776 -0.769548 -0.091007
H 4.825382 0.272488 1.323670
H -4.308698 -0.783112 0.079651
H -4.824334 0.282674 -1.313859


