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	hartrees
Energy at 0K	-266.587938
Energy at 298.15K	-266.592613
HF Energy	-265.713455
Nuclear repulsion energy	162.631065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3590	66.43
2	A'	3306	3131	2.86
3	A'	3246	3074	1.58
4	A'	3200	3031	2.73
5	A'	1836	1739	246.63
6	A'	1687	1598	23.01
7	A'	1474	1396	35.95
8	A'	1398	1324	39.71
9	A'	1324	1254	1.81
10	A'	1246	1181	196.48
11	A'	1055	999	82.54
12	A'	854	808	8.44
13	A'	593	562	45.14
14	A'	539	510	6.11
15	A'	289	274	0.74
16	A"	1028	974	33.51
17	A"	958	907	37.57
18	A"	833	789	41.07
19	A"	627	594	110.38
20	A"	488	462	14.66
21	A"	103	97	0.26

Atom	x (Å)	y (Å)
O1	1.332	0.334
H2	1.758	1.201
O3	-0.470	1.685
C4	0.000	0.569
C5	-0.812	-0.669
H6	-1.883	-0.497
C7	-0.292	-1.903
H8	0.780	-2.061
H9	-0.934	-2.777

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9663	2.2525	1.3530	2.3669	3.3208	2.7640	2.4577	3.8483
H2	0.9663		2.2798	1.8685	3.1782	4.0176	3.7198	3.4058	4.8031
O3	2.2525	2.2798		1.2112	2.3784	2.5997	3.5922	3.9491	4.4860
C4	1.3530	1.8685	1.2112		1.4798	2.1635	2.4885	2.7429	3.4733
C5	2.3669	3.1782	2.3784	1.4798		1.0848	1.3392	2.1148	2.1118
H6	3.3208	4.0176	2.5997	2.1635	1.0848		2.1231	3.0881	2.4697
C7	2.7640	3.7198	3.5922	2.4885	1.3392	2.1231		1.0833	1.0843
H8	2.4577	3.4058	3.9491	2.7429	2.1148	3.0881	1.0833		1.8567
H9	3.8483	4.8031	4.4860	3.4733	2.1118	2.4697	1.0843	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.813	O1	C4	C5	113.271
H2	O1	C4	106.145	O3	C4	C5	123.916
C4	C5	H6	114.165	C4	C5	C7	123.883
C5	C7	H8	121.254	C5	C7	H9	120.876
H6	C5	C7	121.952	H8	C7	H9	117.870

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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