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	hartrees
Energy at 0K	-302.487570
Energy at 298.15K	-302.490764
HF Energy	-301.550518
Nuclear repulsion energy	162.916287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3519	89.15
2	A'	3081	2918	41.49
3	A'	1856	1758	147.79
4	A'	1750	1657	66.31
5	A'	1419	1344	359.87
6	A'	1373	1301	19.02
7	A'	1234	1169	7.90
8	A'	904	856	51.65
9	A'	695	658	15.07
10	A'	510	483	4.93
11	A'	296	280	32.77
12	A"	1015	962	2.88
13	A"	696	659	94.12
14	A"	575	545	50.44
15	A"	181	172	23.65

Atom	x (Å)	y (Å)
C1	-0.746	-0.751
C2	0.000	0.584
O3	-0.146	-1.808
O4	-0.582	1.638
O5	1.328	0.444
H6	-1.845	-0.677
H7	1.522	-0.507

	C1	C2	O3	O4	O5	H6	H7
C1		1.5296	1.2151	2.3949	2.3939	1.1009	2.2816
C2	1.5296		2.3960	1.2043	1.3355	2.2343	1.8727
O3	1.2151	2.3960		3.4732	2.6908	2.0409	2.1151
O4	2.3949	1.2043	3.4732		2.2532	2.6364	3.0050
O5	2.3939	1.3355	2.6908	2.2532		3.3648	0.9701
H6	1.1009	2.2343	2.0409	2.6364	3.3648		3.3711
H7	2.2816	1.8727	2.1151	3.0050	0.9701	3.3711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.874	C1	C2	O5	113.170
C2	C1	O3	121.180	C2	C1	H6	115.316
C2	O5	H7	107.569	O3	C1	H6	123.504
O4	C2	O5	124.957

All results from a given calculation for CHOCOOH (oxo acetic acid)

using model chemistry: MP2=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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