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	hartrees
Energy at 0K	-266.880501
Energy at 298.15K	-266.885024
Nuclear repulsion energy	161.165962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3647	3605	62.52
2	A'	3195	3159	2.85
3	A'	3143	3107	1.36
4	A'	3099	3064	3.90
5	A'	1735	1715	324.86
6	A'	1638	1619	20.63
7	A'	1403	1387	28.30
8	A'	1319	1304	61.93
9	A'	1269	1254	1.40
10	A'	1163	1150	149.84
11	A'	1000	989	90.24
12	A'	816	807	5.70
13	A'	562	555	38.51
14	A'	515	509	6.96
15	A'	271	268	0.86
16	A"	991	980	24.85
17	A"	956	945	36.28
18	A"	801	792	33.40
19	A"	593	586	88.84
20	A"	465	460	12.89
21	A"	105	104	0.06

Atom	x (Å)	y (Å)
O1	1.350	0.341
H2	1.764	1.230
O3	-0.477	1.698
C4	0.000	0.566
C5	-0.812	-0.674
H6	-1.891	-0.489
C7	-0.302	-1.919
H8	0.779	-2.092
H9	-0.956	-2.796

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9810	2.2761	1.3689	2.3884	3.3454	2.7992	2.4985	3.8931
H2	0.9810		2.2892	1.8848	3.2032	4.0389	3.7663	3.4648	4.8587
O3	2.2761	2.2892		1.2282	2.3950	2.6043	3.6214	3.9920	4.5194
C4	1.3689	1.8848	1.2282		1.4820	2.1653	2.5036	2.7694	3.4953
C5	2.3884	3.2032	2.3950	1.4820		1.0939	1.3464	2.1311	2.1274
H6	3.3454	4.0389	2.6043	2.1653	1.0939		2.1377	3.1131	2.4889
C7	2.7992	3.7663	3.6214	2.5036	1.3464	2.1377		1.0937	1.0940
H8	2.4985	3.4648	3.9920	2.7694	2.1311	3.1131	1.0937		1.8719
H9	3.8931	4.8587	4.5194	3.4953	2.1274	2.4889	1.0940	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.332	O1	C4	C5	113.752
H2	O1	C4	105.465	O3	C4	C5	123.915
C4	C5	H6	113.545	C4	C5	C7	124.474
C5	C7	H8	121.356	C5	C7	H9	120.977
H6	C5	C7	121.981	H8	C7	H9	117.668

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

using model chemistry: PBEPBE/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	-0.431
2	H	0.364
3	O	-0.427
4	C	0.178
5	C	0.160
6	H	0.170
7	C	-0.365
8	H	0.185
9	H	0.166

	x	y	z	Total
	0.840	-1.999	0.000	2.169
CHELPG
AIM
ESP

	x	y	z
x	6.657	-0.268	0.000
y	-0.268	9.705	0.000
z	0.000	0.000	4.106

<r²>	111.900
(<r²>)^1/2	10.578

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

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

States and conformations

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