%chk=000095472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095472

0 1
 O    3.751000       2.061100     -0.1854000    
 O    5.465300      0.4314000      0.2761000    
 O   -2.441800      -2.284900     -0.4797000    
 C    3.251100      0.7993000     -8.4600002E-02
 C    4.230000     -0.1312000      0.1788000    
 C    1.603500     -0.9123000     -8.6999997E-02
 C    1.926100      0.4400000     -0.2233000    
 C    3.938000      -1.472500      0.3179000    
 C    2.603700      -1.863100      0.1821000    
 C    5.154300       1.820500      4.4900000E-02
 C   0.2203000      -1.342100     -0.2245000    
 C  -0.8605000     -0.5398000     -0.1000000    
 C   -3.377000     -0.1739000     -6.2899999E-02
 C   -2.233100      -1.099800     -0.2448000    
 C   -3.217400       1.158300     -0.3889000    
 C   -4.568600     -0.6709000      0.4267000    
 C   -4.293400       2.029400     -0.2180000    
 C   -5.644500      0.2002000      0.5975000    
 C   -5.506900       1.550400      0.2751000    
 H    1.195600       1.208300     -0.4503000    
 H    4.712300      -2.202300      0.5254000    
 H    2.353500      -2.916300      0.2899000    
 H    5.471100       2.401200      0.9188000    
 H    5.717600       2.165400     -0.8298000    
 H   8.0799997E-02  -2.396600     -0.4519000    
 H  -0.7520000      0.4994000      0.1814000    
 H   -2.305300       1.563900     -0.8136000    
 H   -4.689900      -1.718400      0.6867000    
 H   -4.189800       3.079000     -0.4778000    
 H   -6.589400     -0.1724000      0.9822000    
 H   -6.345300       2.228200      0.4063000    


%chk=000095472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095472

0 1
O 4.040611 2.073368 -0.094610
O 5.683591 0.321140 -0.050026
O -2.397836 -2.286968 0.238100
C 3.410379 0.805988 -0.031205
C 4.383317 -0.222946 -0.005365
C 1.640837 -0.834487 0.064574
C 2.047242 0.542008 0.002102
C 4.023182 -1.571472 0.055424
C 2.635490 -1.857325 0.089744
C 5.500764 1.800295 -0.103378
C 0.235154 -1.238652 0.104705
C -0.874644 -0.431521 0.083832
C -3.440464 -0.118371 0.086918
C -2.234525 -1.023041 0.140490
C -3.367012 1.287290 -0.115034
C -4.720146 -0.720176 0.239130
C -4.542708 2.067767 -0.162139
C -5.892872 0.057810 0.195251
C -5.808352 1.457357 -0.005622
H 1.319349 1.356392 -0.017415
H 4.775789 -2.362929 0.075398
H 2.310480 -2.902353 0.137817
H 5.958781 2.247851 0.794993
H 5.934510 2.178400 -1.044536
H 0.035395 -2.319206 0.158916
H -0.774749 0.657105 0.033888
H -2.401764 1.786071 -0.246835
H -4.757386 -1.804291 0.388811
H -4.472254 3.149384 -0.321928
H -6.871281 -0.420062 0.316371
H -6.719577 2.065073 -0.041068


