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	hartrees
Energy at 0K	-50.869029
Energy at 298.15K	-50.873628
HF Energy	-50.171975
Nuclear repulsion energy	86.436310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3545	81.95
2	A'	3316	3148	7.29
3	A'	3257	3092	2.81
4	A'	3204	3042	6.74
5	A'	1813	1722	270.87
6	A'	1679	1594	37.03
7	A'	1465	1391	36.41
8	A'	1379	1309	51.26
9	A'	1309	1243	0.73
10	A'	1235	1172	189.56
11	A'	1026	974	80.92
12	A'	845	802	6.17
13	A'	574	545	42.11
14	A'	523	497	5.80
15	A'	282	268	0.84
16	A"	1033	981	47.71
17	A"	921	874	38.36
18	A"	816	775	32.61
19	A"	618	587	114.02
20	A"	489	464	12.39
21	A"	107	101	0.15

Atom	x (Å)	y (Å)
O1	1.350	0.318
H2	1.776	1.203
O3	-0.458	1.722
C4	0.000	0.575
C5	-0.838	-0.668
H6	-1.917	-0.494
C7	-0.300	-1.929
H8	0.782	-2.083
H9	-0.953	-2.809

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9828	2.2893	1.3744	2.3996	3.3666	2.7873	2.4669	3.8833
H2	0.9828		2.2934	1.8840	3.2147	4.0647	3.7576	3.4333	4.8525
O3	2.2893	2.2934		1.2351	2.4202	2.6537	3.6541	4.0018	4.5583
C4	1.3744	1.8840	1.2351		1.4990	2.1952	2.5215	2.7705	3.5157
C5	2.3996	3.2147	2.4202	1.4990		1.0934	1.3704	2.1505	2.1442
H6	3.3666	4.0647	2.6537	2.1952	1.0934		2.1615	3.1318	2.5079
C7	2.7873	3.7576	3.6541	2.5215	1.3704	2.1615		1.0929	1.0960
H8	2.4669	3.4333	4.0018	2.7705	2.1505	3.1318	1.0929		1.8804
H9	3.8833	4.8525	4.5583	3.5157	2.1442	2.5079	1.0960	1.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.548	O1	C4	C5	113.185
H2	O1	C4	104.900	O3	C4	C5	124.267
C4	C5	H6	114.830	C4	C5	C7	122.926
C5	C7	H8	121.210	C5	C7	H9	120.365
H6	C5	C7	122.244	H8	C7	H9	118.425

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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