%chk=000006814.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006814

0 1
 O   0.1496000      0.2561000       2.412500    
 O   -4.921000     -0.2665000      -1.281400    
 O    2.032600       2.419700      -1.440200    
 O    1.038600       2.442700      0.6037000    
 C    1.313300     -0.5060000      0.5042000    
 C   -1.211600     -0.1503000      0.5773000    
 C   8.8200003E-02 -0.1089000       1.228500    
 C    2.045300      0.4295000     -0.2070000    
 C    1.700200      -1.834800      0.5620000    
 C   -1.314200     -0.5691000     -0.7491000    
 C   -2.355600      0.2291000       1.279500    
 C    3.198200      2.4900001E-02 -0.8802000    
 C    2.853000      -2.239200     -0.1114000    
 C    3.601900      -1.309400     -0.8325000    
 C   -2.560800     -0.6085000      -1.373600    
 C   -3.602400      0.1896000      0.6550000    
 C   -3.705000     -0.2293000     -0.6716000    
 C    1.649900       1.830200     -0.2756000    
 H    1.123700      -2.565900       1.121800    
 H  -0.4534000     -0.8731000      -1.336500    
 H   -2.305300      0.5600000       2.313400    
 H    3.811300      0.7267000      -1.439600    
 H    3.167800      -3.277900     -7.3500000E-02
 H    4.501000      -1.624100      -1.354000    
 H   -2.627800     -0.9362000      -2.407600    
 H   -4.490200      0.4867000       1.206700    
 H   -4.806000     -0.5794000      -2.195200    
 H    1.762900       3.362200      -1.478200    


%chk=000006814-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006814

0 1
O 0.123793 -0.248228 2.588555
O -5.011814 0.018524 -1.288600
O 2.096383 2.453418 -1.477924
O 0.530232 2.230877 0.217660
C 1.342576 -0.586496 0.546218
C -1.229552 -0.209978 0.588524
C 0.064531 -0.296256 1.322526
C 1.984653 0.339802 -0.328941
C 1.935088 -1.857270 0.745692
C -1.343398 -0.521602 -0.791651
C -2.399486 0.167637 1.307052
C 3.177810 -0.029988 -1.004744
C 3.119454 -2.221175 0.068459
C 3.739560 -1.307803 -0.816054
C -2.590187 -0.458412 -1.442813
C -3.645785 0.241211 0.670097
C -3.740006 -0.072412 -0.709374
C 1.446648 1.720286 -0.469694
H 1.459555 -2.557817 1.439711
H -0.457680 -0.826870 -1.359243
H -2.297279 0.404497 2.370838
H 3.655431 0.701811 -1.661559
H 3.557604 -3.211392 0.234228
H 4.659942 -1.585072 -1.340441
H -2.670499 -0.707360 -2.508972
H -4.551051 0.538174 1.207171
H -4.983750 -0.209690 -2.251291
H 1.711427 3.370387 -1.498030


