
1. A bonding orbital for C1C2 with 1.9899 electrons
__has 50.51% C 1 character in a sp2.91 hybrid
__has 49.49% C 2 character in a sp1.67 hybrid
2. A bonding orbital for C1H3 with 1.9773 electrons
__has 60.94% C 1 character in a s0.95 p3 hybrid
__has 39.06% H 3 character in a s orbital
3. A bonding orbital for C1H4 with 1.9908 electrons
__has 60.76% C 1 character in a sp2.89 hybrid
__has 39.24% H 4 character in a s orbital
4. A bonding orbital for C1H5 with 1.9849 electrons
__has 60.99% C 1 character in a s0.99 p3 hybrid
__has 39.01% H 5 character in a s orbital
5. A bonding orbital for C2O7 with 1.9962 electrons
__has 32.28% C 2 character in a sp2.59 hybrid
__has 67.72% O 7 character in a sp2.29 hybrid
6. A bonding orbital for C2O8 with 1.9979 electrons
__has 35.56% C 2 character in a sp1.85 hybrid
__has 64.44% O 8 character in a sp1.57 hybrid
7. A bonding orbital for C2O8 with 1.9958 electrons
__has 25.99% C 2 character in a p3 hybrid
__has 74.01% O 8 character in a p3 hybrid
8. A bonding orbital for H6O7 with 1.9886 electrons
__has 24.90% H 6 character in a s orbital
__has 75.10% O 7 character in a s0.84 p3 hybrid
13. A lone pair orbital for O7 with 1.9822 electrons
__made from a sp1.09 hybrid
14. A lone pair orbital for O7 with 1.8792 electrons
__made from a ppi orbital ( 99.94% p 0.06% d)
15. A lone pair orbital for O8 with 1.9770 electrons
__made from a sp0.63 hybrid
16. A lone pair orbital for O8 with 1.8840 electrons
__made from a ppi orbital ( 99.90% p 0.10% d)
119. A antibonding orbital for C2O8 with 0.1433 electrons
__has 74.01% C 2 character in a p3 hybrid
__has 25.99% O 8 character in a p3 hybrid
With core pairs on: C 1 C 2 O 7 O 8 
The interaction of bonding donor orbital, 2, for C1H3 with the second antibonding acceptor orbital, 119, for C2O8 is 33.7 kJ/mol.
The interaction of bonding donor orbital, 3, for C1H4 with the antibonding acceptor orbital, 118, for C2O8 is 21.4 kJ/mol.
The interaction of bonding donor orbital, 8, for H6O7 with the antibonding acceptor orbital, 113, for C1C2 is 24.3 kJ/mol.
The interaction of lone pair donor orbital, 13, for O7 with the antibonding acceptor orbital, 118, for C2O8 is 39.1 kJ/mol.
The interaction of the second lone pair donor orbital, 14, for O7 with the second antibonding acceptor orbital, 119, for C2O8 is 232. kJ/mol.
The interaction of the second lone pair donor orbital, 16, for O8 with the antibonding acceptor orbital, 113, for C1C2 is 100. kJ/mol.
The interaction of the second lone pair donor orbital, 16, for O8 with the antibonding acceptor orbital, 117, for C2O7 is 181. kJ/mol.
20  2.544
19  1.892
18  0.778
17  1.440
16 ^v 6.699
15 ^v 7.977
14 ^v 9.674
13 ^v 9.738
12 ^v 10.11
11 ^v 11.69
10 ^v 11.76
9 ^v 12.12
8 ^v 15.28
7 ^v 18.82
6 ^v 25.29
5 ^v 27.60
4 ^v 266.8
3 ^v 270.1
2 ^v 506.3
1 ^v 507.9
Total electronic energy = 229.1787968090 Hartrees
*Note: The CC bond is slightly rotated (15.6 degrees) from the lower energy rotamer, CH_{3}COOH(7.6 degrees). This calculation may be useful in comparison with molecular mechanics torsional potential calculations.