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	hartrees
Energy at 0K	-302.602824
Energy at 298.15K	-302.606021
HF Energy	-301.596500
Nuclear repulsion energy	163.214106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3679	3493	118.07
2	A'	3077	2922	33.20
3	A'	1838	1745	161.72
4	A'	1741	1653	63.21
5	A'	1403	1332	311.72
6	A'	1360	1291	20.45
7	A'	1234	1172	9.07
8	A'	901	855	52.20
9	A'	690	655	13.60
10	A'	506	481	4.86
11	A'	286	272	34.26
12	A"	1021	970	3.08
13	A"	706	670	78.06
14	A"	586	556	24.60
15	A"	178	169	24.43

Atom	x (Å)	y (Å)
C1	-0.749	-0.745
C2	0.000	0.582
O3	-0.147	-1.800
O4	-0.574	1.641
O5	1.327	0.431
H6	-1.843	-0.669
H7	1.485	-0.530

	C1	C2	O3	O4	O5	H6	H7
C1		1.5239	1.2148	2.3932	2.3869	1.0963	2.2447
C2	1.5239		2.3865	1.2051	1.3359	2.2270	1.8549
O3	1.2148	2.3865		3.4680	2.6747	2.0388	2.0682
O4	2.3932	1.2051	3.4680		2.2537	2.6356	2.9921
O5	2.3869	1.3359	2.6747	2.2537		3.3558	0.9740
H6	1.0963	2.2270	2.0388	2.6356	3.3558		3.3308
H7	2.2447	1.8549	2.0682	2.9921	0.9740	3.3308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.112	C1	C2	O5	112.991
C2	C1	O3	120.825	C2	C1	H6	115.437
C2	O5	H7	105.770	O3	C1	H6	123.737
O4	C2	O5	124.897

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

using model chemistry: MP2/cc-pVTZ

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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