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	hartrees
Energy at 0K	-266.435307
Energy at 298.15K	-266.439979
HF Energy	-265.676809
Nuclear repulsion energy	161.829849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3597	84.78
2	A'	3317	3160	2.06
3	A'	3255	3101	1.19
4	A'	3206	3053	2.11
5	A'	1840	1753	221.84
6	A'	1686	1606	21.33
7	A'	1461	1391	47.98
8	A'	1384	1319	45.15
9	A'	1301	1239	1.47
10	A'	1227	1169	170.53
11	A'	1036	987	65.44
12	A'	850	810	7.59
13	A'	585	557	43.17
14	A'	531	506	5.25
15	A'	286	272	0.54
16	A"	1034	985	23.72
17	A"	975	929	24.79
18	A"	832	793	34.10
19	A"	611	582	90.00
20	A"	486	463	11.44
21	A"	109	104	0.12

Atom	x (Å)	y (Å)
O1	1.337	0.330
H2	1.742	1.216
O3	-0.471	1.695
C4	0.000	0.573
C5	-0.816	-0.670
H6	-1.896	-0.501
C7	-0.290	-1.912
H8	0.793	-2.063
H9	-0.936	-2.795

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9737	2.2658	1.3593	2.3745	3.3388	2.7701	2.4540	3.8641
H2	0.9737		2.2642	1.8569	3.1782	4.0229	3.7295	3.4131	4.8222
O3	2.2658	2.2642		1.2173	2.3907	2.6179	3.6115	3.9649	4.5138
C4	1.3593	1.8569	1.2173		1.4870	2.1790	2.5013	2.7522	3.4949
C5	2.3745	3.1782	2.3907	1.4870		1.0937	1.3483	2.1278	2.1275
H6	3.3388	4.0229	2.6179	2.1790	1.0937		2.1385	3.1103	2.4871
C7	2.7701	3.7295	3.6115	2.5013	1.3483	2.1385		1.0932	1.0941
H8	2.4540	3.4131	3.9649	2.7522	2.1278	3.1103	1.0932		1.8774
H9	3.8641	4.8222	4.5138	3.4949	2.1275	2.4871	1.0941	1.8774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	123.041	O1	C4	C5	113.000
H2	O1	C4	104.265	O3	C4	C5	123.960
C4	C5	H6	114.342	C4	C5	C7	123.741
C5	C7	H8	120.920	C5	C7	H9	120.819
H6	C5	C7	121.917	H8	C7	H9	118.260

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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