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	hartrees
Energy at 0K	-266.412898
Energy at 298.15K	-266.417586
HF Energy	-265.651367
Nuclear repulsion energy	162.776511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3779	3546	78.26
2	A'	3320	3115	3.60
3	A'	3269	3067	1.38
4	A'	3229	3029	2.50
5	A'	1924	1805	309.74
6	A'	1746	1638	15.60
7	A'	1504	1412	43.38
8	A'	1435	1346	48.52
9	A'	1345	1262	0.92
10	A'	1276	1197	189.07
11	A'	1074	1008	65.47
12	A'	870	816	8.53
13	A'	598	561	48.12
14	A'	548	514	7.86
15	A'	292	274	0.88
16	A"	1034	970	30.70
17	A"	993	931	28.64
18	A"	832	781	50.49
19	A"	624	586	110.01
20	A"	489	459	10.87
21	A"	102	95	0.06

Atom	x (Å)	y (Å)
O1	1.330	0.339
H2	1.761	1.210
O3	-0.479	1.681
C4	0.000	0.571
C5	-0.809	-0.673
H6	-1.880	-0.498
C7	-0.284	-1.902
H8	0.789	-2.065
H9	-0.918	-2.783

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9716	2.2515	1.3496	2.3664	3.3174	2.7613	2.4639	3.8469
H2	0.9716		2.2888	1.8734	3.1864	4.0221	3.7232	3.4157	4.8081
O3	2.2515	2.2888		1.2087	2.3773	2.5909	3.5876	3.9540	4.4853
C4	1.3496	1.8734	1.2087		1.4843	2.1630	2.4887	2.7510	3.4772
C5	2.3664	3.1864	2.3773	1.4843		1.0854	1.3358	2.1186	2.1124
H6	3.3174	4.0221	2.5909	2.1630	1.0854		2.1257	3.0948	2.4794
C7	2.7613	3.7232	3.5876	2.4887	1.3358	2.1257		1.0849	1.0856
H8	2.4639	3.4157	3.9540	2.7510	2.1186	3.0948	1.0849		1.8515
H9	3.8469	4.8081	4.4853	3.4772	2.1124	2.4794	1.0856	1.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	123.211	O1	C4	C5	113.153
H2	O1	C4	106.490	O3	C4	C5	123.636
C4	C5	H6	113.742	C4	C5	C7	123.805
C5	C7	H8	121.800	C5	C7	H9	121.122
H6	C5	C7	122.453	H8	C7	H9	117.078

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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