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	hartrees
Energy at 0K	-266.399519
Energy at 298.15K	-266.404170
HF Energy	-265.649391
Nuclear repulsion energy	162.240079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3489	84.52
2	A'	3329	3137	2.73
3	A'	3268	3079	1.24
4	A'	3230	3043	2.11
5	A'	1845	1738	222.64
6	A'	1707	1608	22.01
7	A'	1493	1407	33.77
8	A'	1409	1327	56.90
9	A'	1339	1261	0.92
10	A'	1238	1167	167.18
11	A'	1060	999	86.16
12	A'	857	807	6.80
13	A'	585	551	44.01
14	A'	537	506	7.64
15	A'	291	274	0.74
16	A"	1037	977	29.01
17	A"	982	925	30.04
18	A"	819	772	43.63
19	A"	631	595	108.63
20	A"	486	458	9.03
21	A"	100	94	0.14

Atom	x (Å)	y (Å)
O1	1.338	0.321
H2	1.758	1.205
O3	-0.462	1.694
C4	0.000	0.565
C5	-0.817	-0.665
H6	-1.887	-0.488
C7	-0.301	-1.900
H8	0.770	-2.066
H9	-0.944	-2.773

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9788	2.2648	1.3606	2.3698	3.3256	2.7600	2.4532	3.8447
H2	0.9788		2.2738	1.8712	3.1822	4.0196	3.7254	3.4167	4.8091
O3	2.2648	2.2738		1.2205	2.3857	2.6069	3.5977	3.9568	4.4934
C4	1.3606	1.8712	1.2205		1.4761	2.1612	2.4827	2.7408	3.4688
C5	2.3698	3.1822	2.3857	1.4761		1.0849	1.3382	2.1165	2.1121
H6	3.3256	4.0196	2.6069	2.1612	1.0849		2.1230	3.0899	2.4715
C7	2.7600	3.7254	3.5977	2.4827	1.3382	2.1230		1.0837	1.0846
H8	2.4532	3.4167	3.9568	2.7408	2.1165	3.0899	1.0837		1.8542
H9	3.8447	4.8091	4.4934	3.4688	2.1121	2.4715	1.0846	1.8542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.584	O1	C4	C5	113.257
H2	O1	C4	105.063	O3	C4	C5	124.159
C4	C5	H6	114.239	C4	C5	C7	123.741
C5	C7	H8	121.483	C5	C7	H9	120.968
H6	C5	C7	122.021	H8	C7	H9	117.548

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H4O2 (2-Propenoic acid)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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