%chk=000006612.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006612

0 1
 O   -2.029700     -0.1951000       1.591700    
 C    2.564800       1.202700     -0.2784000    
 C    1.713000     -7.8699999E-02 -0.5887000    
 C    3.236800       1.048400       1.106500    
 C    4.102900     -0.2096000       1.216700    
 C    2.484500      -1.365200     -0.3239000    
 C    3.643300       1.392800      -1.373800    
 C    1.701400       2.483000     -0.2775000    
 C    3.551900      -1.402000      0.4939000    
 C   0.4085000     -0.1179000      0.1644000    
 C    2.005600      -2.600000      -1.036400    
 C  -0.7885000     -0.1136000     -0.4359000    
 C   -2.046200     -0.1545000      0.3644000    
 C   -3.333200     -0.1447000     -0.4432000    
 C   -4.576000     -0.2195000      0.4433000    
 C   -5.831500     -0.2156000     -0.3770000    
 C   -6.807600      0.6895000     -0.2460000    
 H    1.492100     -5.0099999E-02  -1.666300    
 H    2.467700       1.013800       1.889300    
 H    3.854000       1.926900       1.334900    
 H    4.236500     -0.4584000       2.275800    
 H    5.102600     -6.0000003E-04  0.8171000    
 H    4.283100       2.253700      -1.148000    
 H    4.295500      0.5214000      -1.484300    
 H    3.178500       1.574500      -2.349800    
 H    2.325200       3.376300     -0.1558000    
 H    1.151500       2.588300      -1.219600    
 H   0.9753000       2.489100      0.5424000    
 H    4.081500      -2.339300      0.6452000    
 H   0.4684000     -0.1565000       1.249800    
 H    2.013200      -2.439400      -2.119400    
 H   0.9866000      -2.854300     -0.7289000    
 H    2.639700      -3.468100     -0.8273000    
 H  -0.8823000     -7.8199998E-02  -1.515700    
 H   -3.354200      0.7770000      -1.037100    
 H   -3.311600      -1.000700      -1.128500    
 H   -4.573600      0.6133000       1.157700    
 H   -4.551200      -1.140800       1.038300    
 H   -5.954000      -1.010500      -1.108200    
 H   -7.696300      0.6321000     -0.8650000    
 H   -6.739600       1.497500      0.4738000    


%chk=000006612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006612

0 1
O -2.018182 0.037418 1.649415
C 2.698292 1.255104 -0.270562
C 1.746410 0.059024 -0.651142
C 3.284688 1.002622 1.148390
C 4.086535 -0.315929 1.243141
C 2.405160 -1.312868 -0.395545
C 3.837170 1.342261 -1.321456
C 1.913827 2.590996 -0.277868
C 3.438415 -1.454248 0.480750
C 0.434609 0.081558 0.107456
C 1.826277 -2.484383 -1.164536
C -0.808595 -0.015830 -0.446748
C -2.046974 -0.039717 0.383812
C -3.367057 -0.170760 -0.384182
C -4.617968 -0.139550 0.521284
C -5.886436 -0.436573 -0.248587
C -6.966971 0.380406 -0.330713
H 1.520405 0.135394 -1.736687
H 2.456052 0.980492 1.882949
H 3.930548 1.856714 1.432332
H 4.216219 -0.602233 2.306142
H 5.115870 -0.168323 0.850822
H 4.571962 2.116473 -1.029992
H 4.372301 0.382862 -1.431667
H 3.431324 1.620267 -2.312799
H 2.598399 3.440240 -0.092528
H 1.420676 2.758456 -1.254433
H 1.129727 2.610515 0.501209
H 3.874495 -2.454049 0.624134
H 0.489451 0.129956 1.205866
H 1.963573 -2.350224 -2.256532
H 0.737360 -2.581114 -0.989059
H 2.304952 -3.436359 -0.876091
H -0.932001 -0.077155 -1.537528
H -3.416848 0.635682 -1.144815
H -3.329372 -1.117484 -0.965670
H -4.689348 0.843381 1.020847
H -4.475514 -0.883482 1.330354
H -5.912172 -1.405824 -0.774179
H -7.859634 0.099983 -0.901420
H -6.989025 1.353298 0.176337


