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	hartrees
Energy at 0K	-266.073131
Energy at 298.15K	-266.077627
HF Energy	-265.569199
Nuclear repulsion energy	158.152572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3622	3497	56.13
2	A'	3283	3170	10.00
3	A'	3210	3099	5.56
4	A'	3162	3052	7.07
5	A'	1694	1635	92.47
6	A'	1607	1551	117.42
7	A'	1467	1416	10.77
8	A'	1351	1304	29.49
9	A'	1314	1268	16.64
10	A'	1174	1134	109.21
11	A'	997	963	194.73
12	A'	791	763	13.67
13	A'	552	533	31.36
14	A'	512	494	18.20
15	A'	278	268	0.75
16	A"	1008	973	54.79
17	A"	910	879	31.21
18	A"	781	754	36.80
19	A"	587	566	171.50
20	A"	466	450	14.06
21	A"	109	106	0.24

Atom	x (Å)	y (Å)
O1	1.386	0.283
H2	1.913	1.120
O3	-0.430	1.758
C4	0.000	0.573
C5	-0.856	-0.656
H6	-1.931	-0.453
C7	-0.362	-1.930
H8	0.713	-2.121
H9	-1.037	-2.790

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9888	2.3396	1.4163	2.4308	3.3977	2.8201	2.4965	3.9130
H2	0.9888		2.4280	1.9892	3.2892	4.1529	3.8047	3.4559	4.8973
O3	2.3396	2.4280		1.2600	2.4509	2.6722	3.6888	4.0439	4.5876
C4	1.4163	1.9892	1.2600		1.4979	2.1868	2.5297	2.7874	3.5192
C5	2.4308	3.2892	2.4509	1.4979		1.0936	1.3672	2.1472	2.1414
H6	3.3977	4.1529	2.6722	2.1868	1.0936		2.1552	3.1262	2.5015
C7	2.8201	3.8047	3.6888	2.5297	1.3672	2.1552		1.0915	1.0929
H8	2.4965	3.4559	4.0439	2.7874	2.1472	3.1262	1.0915		1.8734
H9	3.9130	4.8973	4.5876	3.5192	2.1414	2.5015	1.0929	1.8734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.792	O1	C4	C5	113.021
H2	O1	C4	110.334	O3	C4	C5	125.187
C4	C5	H6	114.183	C4	C5	C7	123.932
C5	C7	H8	121.278	C5	C7	H9	120.616
H6	C5	C7	121.884	H8	C7	H9	118.106

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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