%chk=000005646.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005646

0 1
 O  -0.5714000       1.744600      0.3047000    
 O    1.729500      -1.775900     -0.6750000    
 O  -0.6138000      -2.930100      0.6505000    
 O    4.142300       2.134400      0.3718000    
 O   -4.643000     -0.6784000     -0.6398000    
 O    4.311000      0.1925000      -1.925800    
 O   -4.336300       1.910700      -1.275800    
 C   0.7440000     -0.1908000      0.8605000    
 C  -0.6495000     -0.5523000      0.4419000    
 C   0.7290000       1.292800      0.5457000    
 C    1.871700     -0.7789000      3.1500001E-02
 C    3.229700     -9.1399997E-02  0.1822000    
 C   -1.358700      0.6231000      0.1753000    
 C   0.9520000     -0.4642000       2.353500    
 C   -1.278400      -1.781600      0.3587000    
 C    1.798500       2.064200      0.3308000    
 C    3.137700       1.425900      0.3157000    
 C   -2.689600      0.6196000     -0.1871000    
 C   -2.626500      -1.809400     -1.2000000E-02
 C   -3.325600     -0.6191000     -0.2822000    
 C    4.182900     -0.4833000     -0.9060000    
 C   -3.392500       1.863600     -0.4625000    
 C   -3.337000      -3.122900     -0.1143000    
 C    4.977300      -1.742600     -0.6886000    
 C   -2.983400       3.149700      0.2464000    
 H    3.650300     -0.4405000       1.134700    
 H   0.9840000      -1.539100       2.563700    
 H    1.894300     -4.2100001E-02   2.720400    
 H   0.1469000     -3.4400001E-02   2.962300    
 H    1.721000       3.114700      7.9800002E-02
 H   -3.850700      -3.343700      0.8267000    
 H   -4.072800      -3.117700     -0.9256000    
 H   -2.649700      -3.945600     -0.3372000    
 H   0.3208000      -2.734800      0.8249000    
 H    5.632700      -1.616800      0.1769000    
 H    4.306800      -2.590400     -0.5321000    
 H    5.593300      -1.943300      -1.569800    
 H   -5.024300      0.2112000     -0.7036000    
 H   -2.216400       3.667700     -0.3338000    
 H   -2.637900       2.946000       1.263300    
 H   -3.862500       3.796600      0.3322000    


%chk=000005646-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005646

0 1
O -0.407434 1.732017 0.448026
O 2.032791 -2.239066 0.520567
O -0.550601 -3.054707 0.610138
O 4.370068 1.880356 1.264476
O -4.561016 -0.752012 -0.650290
O 3.308988 0.662931 -1.836586
O -4.604662 1.737291 -0.824013
C 0.795629 -0.233447 1.120997
C -0.550760 -0.606122 0.510839
C 0.868425 1.249491 0.781625
C 2.051726 -0.977711 0.671719
C 3.327367 -0.173520 0.495987
C -1.246260 0.573301 0.239468
C 0.746092 -0.417952 2.691213
C -1.208375 -1.861597 0.368884
C 1.999058 2.006724 0.817426
C 3.286069 1.312095 0.945978
C -2.600361 0.630256 -0.161271
C -2.572322 -1.903119 -0.015739
C -3.246053 -0.675293 -0.270230
C 3.704900 -0.223595 -1.054034
C -3.361090 1.844275 -0.472945
C -3.310706 -3.209825 -0.180837
C 4.543071 -1.416797 -1.452643
C -2.745635 3.223931 -0.403326
H 4.146373 -0.696249 1.022187
H 0.562771 -1.478225 2.934417
H 1.690947 -0.090164 3.160400
H -0.079016 0.189849 3.099189
H 1.995388 3.091868 0.690947
H -4.120883 -3.301182 0.566249
H -3.796579 -3.259704 -1.171357
H -2.623304 -4.060614 -0.064131
H 0.454567 -2.915452 0.640977
H 5.548455 -1.325808 -0.997992
H 4.090904 -2.345406 -1.057681
H 4.641694 -1.470888 -2.547273
H -4.889241 0.230627 -0.807849
H -1.866363 3.300647 -1.067130
H -2.384690 3.447144 0.616384
H -3.504232 3.963652 -0.699864


