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	hartrees
Energy at 0K	-265.407415
Energy at 298.15K	-265.412194
HF Energy	-265.407415
Nuclear repulsion energy	162.183985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3432	37.04
2	A'	3291	3170	2.07
3	A'	3247	3128	0.90
4	A'	3193	3076	3.23
5	A'	1804	1738	209.28
6	A'	1710	1648	15.02
7	A'	1489	1435	31.78
8	A'	1401	1350	34.19
9	A'	1344	1294	1.82
10	A'	1193	1149	115.95
11	A'	1045	1006	151.54
12	A'	838	807	4.92
13	A'	586	565	35.10
14	A'	536	516	16.52
15	A'	304	292	0.65
16	A"	1067	1028	14.96
17	A"	1037	999	64.44
18	A"	851	819	45.56
19	A"	605	583	125.45
20	A"	504	485	26.34
21	A"	145	139	1.13

Atom	x (Å)	y (Å)
O1	1.338	0.256
H2	1.872	1.093
O3	-0.418	1.717
C4	0.000	0.564
C5	-0.843	-0.640
H6	-1.907	-0.440
C7	-0.338	-1.869
H8	0.735	-2.027
H9	-0.977	-2.746

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9927	2.2837	1.3729	2.3574	3.3187	2.7062	2.3611	3.7906
H2	0.9927		2.3728	1.9449	3.2203	4.0778	3.6953	3.3204	4.7802
O3	2.2837	2.3728		1.2257	2.3946	2.6205	3.5862	3.9167	4.4972
C4	1.3729	1.9449	1.2257		1.4698	2.1552	2.4564	2.6932	3.4512
C5	2.3574	3.2203	2.3946	1.4698		1.0833	1.3282	2.1003	2.1100
H6	3.3187	4.0778	2.6205	2.1552	1.0833		2.1224	3.0821	2.4868
C7	2.7062	3.6953	3.5862	2.4564	1.3282	2.1224		1.0845	1.0850
H8	2.3611	3.3204	3.9167	2.6932	2.1003	3.0821	1.0845		1.8566
H9	3.7906	4.7802	4.4972	3.4512	2.1100	2.4868	1.0850	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.902	O1	C4	C5	112.005
H2	O1	C4	109.559	O3	C4	C5	125.093
C4	C5	H6	114.314	C4	C5	C7	122.700
C5	C7	H8	120.697	C5	C7	H9	121.614
H6	C5	C7	122.986	H8	C7	H9	117.689

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

using model chemistry: HSEh1PBE/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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All results from a given calculation for C3H4O2 (2-Propenoic acid)

using model chemistry: HSEh1PBE/3-21G

States and conformations

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