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	hartrees
Energy at 0K	-302.428763
Energy at 298.15K	-302.431942
HF Energy	-301.561146
Nuclear repulsion energy	163.070276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3618	97.69
2	A'	3058	2918	43.07
3	A'	1900	1813	158.74
4	A'	1806	1723	124.09
5	A'	1429	1363	340.67
6	A'	1373	1310	15.22
7	A'	1253	1195	1.20
8	A'	901	859	48.26
9	A'	696	665	18.97
10	A'	513	489	5.85
11	A'	290	277	32.44
12	A"	1016	970	2.21
13	A"	667	637	63.28
14	A"	575	549	60.35
15	A"	174	166	23.53

Atom	x (Å)	y (Å)
C1	-0.748	-0.759
C2	0.000	0.585
O3	-0.144	-1.805
O4	-0.583	1.633
O5	1.330	0.450
H6	-1.848	-0.680
H7	1.506	-0.502

	C1	C2	O3	O4	O5	H6	H7
C1		1.5383	1.2083	2.3972	2.4041	1.1026	2.2685
C2	1.5383		2.3947	1.1986	1.3371	2.2395	1.8572
O3	1.2083	2.3947		3.4657	2.6936	2.0421	2.1022
O4	2.3972	1.1986	3.4657		2.2493	2.6360	2.9864
O5	2.4041	1.3371	2.6936	2.2493		3.3728	0.9675
H6	1.1026	2.2395	2.0421	2.6360	3.3728		3.3584
H7	2.2685	1.8572	2.1022	2.9864	0.9675	3.3584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.806	C1	C2	O5	113.271
C2	C1	O3	120.887	C2	C1	H6	114.994
C2	O5	H7	106.282	O3	C1	H6	124.119
O4	C2	O5	124.923

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

using model chemistry: QCISD/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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