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	hartrees
Energy at 0K	-266.553696
Energy at 298.15K	-266.558120
HF Energy	-265.747865
Nuclear repulsion energy	162.632367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3599	85.40
2	A'	3317	3144	1.93
3	A'	3258	3088	1.19
4	A'	3213	3046	2.40
5	A'	1807	1713	258.55
6	A'	1685	1597	26.41
7	A'	1472	1396	23.97
8	A'	1378	1306	61.46
9	A'	1327	1258	1.42
10	A'	1221	1157	171.82
11	A'	1044	989	92.99
12	A'	845	801	8.28
13	A'	589	558	41.37
14	A'	538	510	4.50
15	A'	290	275	0.59
16	A"	999	947	34.22
17	A"	876	831	41.57
18	A"	762	722	23.28
19	A"	553	524	98.51
20	A"	444	421	7.38
21	A"	34	32	0.12

Atom	x (Å)	y (Å)
O1	1.336	0.326
H2	1.753	1.201
O3	-0.467	1.686
C4	0.000	0.566
C5	-0.813	-0.666
H6	-1.880	-0.491
C7	-0.297	-1.897
H8	0.771	-2.059
H9	-0.940	-2.766

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9695	2.2593	1.3579	2.3669	3.3182	2.7581	2.4509	3.8392
H2	0.9695		2.2731	1.8646	3.1734	4.0077	3.7147	3.4048	4.7946
O3	2.2593	2.2731		1.2133	2.3776	2.5950	3.5867	3.9449	4.4771
C4	1.3579	1.8646	1.2133		1.4765	2.1567	2.4809	2.7367	3.4624
C5	2.3669	3.1734	2.3776	1.4765		1.0816	1.3338	2.1093	2.1035
H6	3.3182	4.0077	2.5950	2.1567	1.0816		2.1168	3.0804	2.4617
C7	2.7581	3.7147	3.5867	2.4809	1.3338	2.1168		1.0809	1.0811
H8	2.4509	3.4048	3.9449	2.7367	2.1093	3.0804	1.0809		1.8513
H9	3.8392	4.7946	4.4771	3.4624	2.1035	2.4617	1.0811	1.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.872	O1	C4	C5	113.175
H2	O1	C4	105.256	O3	C4	C5	123.954
C4	C5	H6	114.052	C4	C5	C7	123.881
C5	C7	H8	121.385	C5	C7	H9	120.805
H6	C5	C7	122.067	H8	C7	H9	117.810

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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