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	hartrees
Energy at 0K	-297.724631
Energy at 298.15K	-297.727431
HF Energy	-297.428068
Nuclear repulsion energy	157.498540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3733	3319	8.56
2	A'	3352	2980	13.08
3	A'	1847	1642	22.91
4	A'	1676	1490	13.24
5	A'	1566	1392	152.03
6	A'	1400	1244	23.06
7	A'	1247	1108	29.58
8	A'	872	775	11.17
9	A'	675	600	11.10
10	A'	477	424	2.62
11	A'	242	215	18.03
12	A"	923	820	5.85
13	A"	755	671	58.23
14	A"	536	476	9.81
15	A"	196	174	5.92

Atom	x (Å)	y (Å)
C1	-0.849	-0.728
C2	0.000	0.613
O3	-0.206	-1.824
O4	-0.447	1.789
O5	1.372	0.294
H6	-1.967	-0.652
H7	1.313	-0.728

	C1	C2	O3	O4	O5	H6	H7
C1		1.5874	1.2706	2.5486	2.4453	1.1200	2.1620
C2	1.5874		2.4458	1.2578	1.4085	2.3383	1.8768
O3	1.2706	2.4458		3.6207	2.6417	2.1150	1.8730
O4	2.5486	1.2578	3.6207		2.3542	2.8748	3.0712
O5	2.4453	1.4085	2.6417	2.3542		3.4701	1.0243
H6	1.1200	2.3383	2.1150	2.8748	3.4701		3.2803
H7	2.1620	1.8768	1.8730	3.0712	1.0243	3.2803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.826	C1	C2	O5	109.270
C2	C1	O3	117.254	C2	C1	H6	118.437
C2	O5	H7	99.761	O3	C1	H6	124.309
O4	C2	O5	123.904

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

using model chemistry: MP2=FULL/STO-3G

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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