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	hartrees
Energy at 0K	-50.562545
Energy at 298.15K	-50.567003
HF Energy	-50.053194
Nuclear repulsion energy	85.111339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3590	3504	47.02
2	A'	3231	3153	9.65
3	A'	3166	3090	4.92
4	A'	3112	3037	7.13
5	A'	1676	1636	96.37
6	A'	1588	1550	108.47
7	A'	1450	1415	11.56
8	A'	1340	1308	33.16
9	A'	1306	1274	16.22
10	A'	1170	1142	108.36
11	A'	997	973	181.79
12	A'	783	765	16.30
13	A'	549	536	31.21
14	A'	506	494	16.91
15	A'	275	269	0.74
16	A"	983	960	48.93
17	A"	882	861	36.08
18	A"	741	723	23.38
19	A"	577	563	162.71
20	A"	454	443	7.26
21	A"	93	91	0.18

Atom	x (Å)	y (Å)
O1	1.393	0.282
H2	1.907	1.126
O3	-0.433	1.763
C4	0.000	0.573
C5	-0.861	-0.659
H6	-1.933	-0.451
C7	-0.361	-1.934
H8	0.714	-2.124
H9	-1.036	-2.793

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9881	2.3506	1.4228	2.4425	3.4060	2.8267	2.5004	3.9188
H2	0.9881		2.4248	1.9854	3.2937	4.1516	3.8093	3.4623	4.9011
O3	2.3506	2.4248		1.2662	2.4599	2.6752	3.6984	4.0528	4.5963
C4	1.4228	1.9854	1.2662		1.5034	2.1880	2.5336	2.7901	3.5223
C5	2.4425	3.2937	2.4599	1.5034		1.0922	1.3698	2.1506	2.1413
H6	3.4060	4.1516	2.6752	2.1880	1.0922		2.1613	3.1310	2.5079
C7	2.8267	3.8093	3.6984	2.5336	1.3698	2.1613		1.0912	1.0921
H8	2.5004	3.4623	4.0528	2.7901	2.1506	3.1310	1.0912		1.8729
H9	3.9188	4.9011	4.5963	3.5223	2.1413	2.5079	1.0921	1.8729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.781	O1	C4	C5	113.139
H2	O1	C4	109.557	O3	C4	C5	125.079
C4	C5	H6	113.978	C4	C5	C7	123.658
C5	C7	H8	121.408	C5	C7	H9	120.446
H6	C5	C7	122.364	H8	C7	H9	118.146

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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