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	hartrees
Energy at 0K	-266.434989
Energy at 298.15K	-266.439644
HF Energy	-265.661730
Nuclear repulsion energy	162.425550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3576	78.59
2	A'	3365	3144	3.07
3	A'	3300	3084	1.54
4	A'	3257	3043	2.32
5	A'	1846	1725	216.58
6	A'	1714	1601	22.77
7	A'	1496	1398	32.76
8	A'	1405	1313	66.54
9	A'	1337	1250	1.03
10	A'	1229	1148	158.77
11	A'	1057	988	82.50
12	A'	857	801	6.72
13	A'	584	545	44.15
14	A'	536	501	7.46
15	A'	290	271	0.64
16	A"	1045	976	25.21
17	A"	982	917	27.00
18	A"	816	762	40.69
19	A"	623	583	104.25
20	A"	486	454	8.53
21	A"	98	92	0.11

Atom	x (Å)	y (Å)
O1	1.337	0.320
H2	1.754	1.196
O3	-0.463	1.694
C4	0.000	0.565
C5	-0.816	-0.665
H6	-1.882	-0.491
C7	-0.300	-1.899
H8	0.767	-2.059
H9	-0.940	-2.767

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9699	2.2647	1.3597	2.3681	3.3196	2.7575	2.4465	3.8370
H2	0.9699		2.2728	1.8643	3.1733	4.0081	3.7143	3.4012	4.7927
O3	2.2647	2.2728		1.2199	2.3851	2.6046	3.5962	3.9492	4.4868
C4	1.3597	1.8643	1.2199		1.4763	2.1576	2.4821	2.7339	3.4629
C5	2.3681	3.1733	2.3851	1.4763		1.0798	1.3373	2.1091	2.1061
H6	3.3196	4.0081	2.6046	2.1576	1.0798		2.1177	3.0780	2.4637
C7	2.7575	3.7143	3.5962	2.4821	1.3373	2.1177		1.0787	1.0794
H8	2.4465	3.4012	3.9492	2.7339	2.1091	3.0780	1.0787		1.8486
H9	3.8370	4.7927	4.4868	3.4629	2.1061	2.4637	1.0794	1.8486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.696	O1	C4	C5	113.169
H2	O1	C4	105.077	O3	C4	C5	124.135
C4	C5	H6	114.260	C4	C5	C7	123.742
C5	C7	H8	121.244	C5	C7	H9	120.892
H6	C5	C7	121.998	H8	C7	H9	117.865

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)