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	hartrees
Energy at 0K	-265.653606
Energy at 298.15K	-265.658521
HF Energy	-265.653606
Nuclear repulsion energy	164.351562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4063	3651	128.00
2	A'	3445	3096	5.15
3	A'	3400	3055	2.51
4	A'	3355	3015	7.41
5	A'	2030	1824	526.70
6	A'	1853	1665	9.65
7	A'	1587	1426	45.62
8	A'	1510	1357	85.51
9	A'	1428	1283	3.12
10	A'	1352	1215	208.39
11	A'	1140	1024	60.55
12	A'	912	819	11.60
13	A'	638	574	53.36
14	A'	578	520	10.12
15	A'	305	274	1.43
16	A"	1145	1028	25.44
17	A"	1130	1016	37.25
18	A"	919	825	71.89
19	A"	646	580	115.39
20	A"	527	473	19.74
21	A"	122	109	0.07

Atom	x (Å)	y (Å)
O1	1.316	0.366
H2	1.739	1.218
O3	-0.477	1.655
C4	0.000	0.565
C5	-0.801	-0.681
H6	-1.862	-0.516
C7	-0.278	-1.892
H8	0.784	-2.052
H9	-0.905	-2.765

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9518	2.2088	1.3314	2.3616	3.2979	2.7639	2.4752	3.8387
H2	0.9518		2.2590	1.8578	3.1715	3.9967	3.7074	3.4066	4.7812
O3	2.2088	2.2590		1.1893	2.3579	2.5744	3.5528	3.9151	4.4406
C4	1.3314	1.8578	1.1893		1.4813	2.1528	2.4734	2.7319	3.4513
C5	2.3616	3.1715	2.3579	1.4813		1.0738	1.3196	2.0953	2.0869
H6	3.2979	3.9967	2.5744	2.1528	1.0738		2.0987	3.0592	2.4446
C7	2.7639	3.7074	3.5528	2.4734	1.3196	2.0987		1.0735	1.0748
H8	2.4752	3.4066	3.9151	2.7319	2.0953	3.0592	1.0735		1.8334
H9	3.8387	4.7812	4.4406	3.4513	2.0869	2.4446	1.0748	1.8334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.284	O1	C4	C5	114.091
H2	O1	C4	107.751	O3	C4	C5	123.625
C4	C5	H6	113.867	C4	C5	C7	123.930
C5	C7	H8	121.881	C5	C7	H9	120.951
H6	C5	C7	122.203	H8	C7	H9	117.167

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

using model chemistry: HF/6-31G*

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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Number	Element	Mulliken
1	O	-0.712
2	H	0.468
3	O	-0.565
4	C	0.760
5	C	-0.256
6	H	0.228
7	C	-0.349
8	H	0.225
9	H	0.202

	x	y	z	Total
	1.009	-2.151	0.000	2.376
CHELPG	1.003	-2.224	0.000	2.439
AIM
ESP	1.004	-2.195	0.000	2.413

	x	y	z
x	4.958	-0.526	0.004
y	-0.526	7.696	-0.003
z	0.004	-0.003	2.253

<r²>	108.288
(<r²>)^1/2	10.406

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

using model chemistry: HF/6-31G*

States and conformations

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