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	hartrees
Energy at 0K	-300.326536
Energy at 298.15K	-300.329764
HF Energy	-299.767855
Nuclear repulsion energy	159.924746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3425	3270	69.49
2	A'	3104	2963	40.45
3	A'	1744	1664	63.83
4	A'	1570	1499	13.06
5	A'	1381	1318	21.52
6	A'	1341	1280	336.47
7	A'	1169	1116	11.50
8	A'	833	795	52.18
9	A'	677	646	11.23
10	A'	490	468	2.15
11	A'	295	282	34.84
12	A"	1040	993	5.80
13	A"	707	675	128.21
14	A"	589	562	33.43
15	A"	230	220	16.07

Atom	x (Å)	y (Å)
C1	-0.792	-0.720
C2	0.000	0.593
O3	-0.191	-1.823
O4	-0.524	1.711
O5	1.358	0.361
H6	-1.880	-0.602
H7	1.489	-0.631

	C1	C2	O3	O4	O5	H6	H7
C1		1.5341	1.2553	2.4463	2.4073	1.0939	2.2834
C2	1.5341		2.4234	1.2346	1.3782	2.2274	1.9280
O3	1.2553	2.4234		3.5493	2.6777	2.0835	2.0603
O4	2.4463	1.2346	3.5493		2.3166	2.6809	3.0886
O5	2.4073	1.3782	2.6777	2.3166		3.3783	1.0006
H6	1.0939	2.2274	2.0835	2.6809	3.3783		3.3693
H7	2.2834	1.9280	2.0603	3.0886	1.0006	3.3693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.789	C1	C2	O5	111.391
C2	C1	O3	120.307	C2	C1	H6	114.864
C2	O5	H7	107.219	O3	C1	H6	124.830
O4	C2	O5	124.820

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

using model chemistry: MP2/3-21G

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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