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	hartrees
Energy at 0K	-266.494487
Energy at 298.15K	-266.499151
HF Energy	-265.713216
Nuclear repulsion energy	162.499749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3600	65.79
2	A'	3302	3138	2.97
3	A'	3243	3082	1.64
4	A'	3197	3038	2.80
5	A'	1833	1742	246.41
6	A'	1683	1600	22.61
7	A'	1472	1399	34.72
8	A'	1395	1326	38.72
9	A'	1323	1257	1.81
10	A'	1245	1183	197.68
11	A'	1053	1000	83.17
12	A'	851	809	8.42
13	A'	592	562	45.03
14	A'	537	511	6.02
15	A'	289	274	0.73
16	A"	1026	975	33.80
17	A"	955	908	37.22
18	A"	829	788	41.01
19	A"	626	594	110.20
20	A"	486	462	14.47
21	A"	101	96	0.27

Atom	x (Å)	y (Å)
O1	1.334	0.332
H2	1.756	1.203
O3	-0.470	1.687
C4	0.000	0.569
C5	-0.812	-0.668
H6	-1.884	-0.493
C7	-0.293	-1.904
H8	0.778	-2.065
H9	-0.934	-2.779

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9672	2.2560	1.3553	2.3686	3.3222	2.7657	2.4614	3.8504
H2	0.9672		2.2778	1.8670	3.1778	4.0154	3.7216	3.4113	4.8053
O3	2.2560	2.2778		1.2124	2.3799	2.5983	3.5947	3.9543	4.4896
C4	1.3553	1.8670	1.2124		1.4802	2.1624	2.4900	2.7470	3.4757
C5	2.3686	3.1778	2.3799	1.4802		1.0853	1.3400	2.1173	2.1139
H6	3.3222	4.0154	2.5983	2.1624	1.0853		2.1256	3.0916	2.4748
C7	2.7657	3.7216	3.5947	2.4900	1.3400	2.1256		1.0839	1.0847
H8	2.4614	3.4113	3.9543	2.7470	2.1173	3.0916	1.0839		1.8553
H9	3.8504	4.8053	4.4896	3.4757	2.1139	2.4748	1.0847	1.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.851	O1	C4	C5	113.231
H2	O1	C4	105.785	O3	C4	C5	123.918
C4	C5	H6	114.003	C4	C5	C7	123.920
C5	C7	H8	121.376	C5	C7	H9	120.988
H6	C5	C7	122.077	H8	C7	H9	117.636

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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