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	hartrees
Energy at 0K	-266.777063
Energy at 298.15K	-266.771099
Nuclear repulsion energy	164.433962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4071	4071	110.04
2	A'	3432	3432	4.49
3	A'	3386	3386	2.74
4	A'	3338	3338	7.06
5	A'	2026	2026	554.77
6	A'	1849	1849	10.14
7	A'	1576	1576	47.08
8	A'	1500	1500	78.11
9	A'	1417	1417	3.28
10	A'	1359	1359	224.40
11	A'	1130	1130	57.75
12	A'	909	909	11.78
13	A'	641	641	55.26
14	A'	577	577	8.32
15	A'	304	304	1.49
16	A"	1131	1131	24.81
17	A"	1125	1125	34.18
18	A"	927	927	74.72
19	A"	661	661	127.41
20	A"	529	529	17.68
21	A"	125	125	0.09

Atom	x (Å)	y (Å)
O1	1.314	0.362
H2	1.747	1.204
O3	-0.470	1.656
C4	0.000	0.568
C5	-0.804	-0.678
H6	-1.867	-0.511
C7	-0.281	-1.892
H8	0.784	-2.051
H9	-0.909	-2.767

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9469	2.2043	1.3303	2.3598	3.2989	2.7609	2.4704	3.8387
H2	0.9469		2.2625	1.8591	3.1701	4.0001	3.7007	3.3946	4.7778
O3	2.2043	2.2625		1.1854	2.3578	2.5777	3.5525	3.9130	4.4448
C4	1.3303	1.8591	1.1854		1.4827	2.1561	2.4753	2.7333	3.4567
C5	2.3598	3.1701	2.3578	1.4827		1.0764	1.3214	2.0986	2.0917
H6	3.2989	4.0001	2.5777	2.1561	1.0764		2.1033	3.0658	2.4516
C7	2.7609	3.7007	3.5525	2.4753	1.3214	2.1033		1.0763	1.0778
H8	2.4704	3.3946	3.9130	2.7333	2.0986	3.0658	1.0763		1.8383
H9	3.8387	4.7778	4.4448	3.4567	2.0917	2.4516	1.0778	1.8383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.269	O1	C4	C5	113.931
H2	O1	C4	108.275	O3	C4	C5	123.800
C4	C5	H6	113.868	C4	C5	C7	123.850
C5	C7	H8	121.825	C5	C7	H9	121.012
H6	C5	C7	122.282	H8	C7	H9	117.163

All results from a given calculation for C₃H₄O₂ (2-Propenoic acid)

using model chemistry: CBS-Q

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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All results from a given calculation for C3H4O2 (2-Propenoic acid)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for C₃H₄O₂ (2-Propenoic acid)