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	hartrees
Energy at 0K	-266.907360
Energy at 298.15K	-266.912024
HF Energy	-266.907360
Nuclear repulsion energy	162.824857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3825	3652	90.19
2	A'	3288	3139	1.82
3	A'	3239	3093	0.87
4	A'	3189	3045	3.29
5	A'	1836	1753	397.82
6	A'	1709	1632	17.17
7	A'	1455	1389	47.58
8	A'	1381	1319	77.24
9	A'	1311	1251	1.36
10	A'	1218	1163	164.85
11	A'	1044	997	71.22
12	A'	854	815	8.50
13	A'	587	561	43.38
14	A'	536	511	7.66
15	A'	282	270	0.99
16	A"	1030	983	22.20
17	A"	1010	965	43.09
18	A"	839	801	42.48
19	A"	601	574	94.33
20	A"	485	463	17.53
21	A"	111	106	0.07

Atom	x (Å)	y (Å)
O1	1.333	0.337
H2	1.754	1.209
O3	-0.466	1.681
C4	0.000	0.563
C5	-0.811	-0.669
H6	-1.882	-0.489
C7	-0.296	-1.899
H8	0.777	-2.063
H9	-0.939	-2.774

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9687	2.2455	1.3517	2.3683	3.3190	2.7667	2.4633	3.8523
H2	0.9687		2.2702	1.8699	3.1796	4.0132	3.7239	3.4148	4.8085
O3	2.2455	2.2702		1.2117	2.3750	2.5908	3.5842	3.9447	4.4803
C4	1.3517	1.8699	1.2117		1.4745	2.1555	2.4795	2.7378	3.4663
C5	2.3683	3.1796	2.3750	1.4745		1.0855	1.3339	2.1133	2.1094
H6	3.3190	4.0132	2.5908	2.1555	1.0855		2.1220	3.0897	2.4724
C7	2.7667	3.7239	3.5842	2.4795	1.3339	2.1220		1.0857	1.0856
H8	2.4633	3.4148	3.9447	2.7378	2.1133	3.0897	1.0857		1.8575
H9	3.8523	4.8085	4.4803	3.4663	2.1094	2.4724	1.0856	1.8575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.223	O1	C4	C5	113.780
H2	O1	C4	106.205	O3	C4	C5	123.997
C4	C5	H6	113.839	C4	C5	C7	123.906
C5	C7	H8	121.376	C5	C7	H9	121.002
H6	C5	C7	122.255	H8	C7	H9	117.622

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.478
2	H	0.378
3	O	-0.463
4	C	0.253
5	C	0.120
6	H	0.182
7	C	-0.351
8	H	0.189
9	H	0.171

	x	y	z	Total
	0.918	-2.070	0.000	2.264
CHELPG
AIM
ESP

	x	y	z
x	6.150	-0.413	0.000
y	-0.413	9.132	0.000
z	0.000	0.000	3.912

<r²>	109.883
(<r²>)^1/2	10.483

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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