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	hartrees
Energy at 0K	-50.051243
Energy at 298.15K	-50.056147
Nuclear repulsion energy	87.049778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4057	3657	111.91
2	A'	3478	3135	15.55
3	A'	3432	3094	6.18
4	A'	3367	3035	14.08
5	A'	1890	1703	400.54
6	A'	1790	1613	157.47
7	A'	1571	1416	26.66
8	A'	1481	1335	93.40
9	A'	1429	1288	7.56
10	A'	1288	1161	147.93
11	A'	1118	1007	129.59
12	A'	895	807	3.15
13	A'	614	554	45.78
14	A'	565	510	28.37
15	A'	299	269	1.89
16	A"	1179	1063	43.76
17	A"	1131	1019	47.93
18	A"	893	805	61.68
19	A"	626	564	183.61
20	A"	532	479	37.79
21	A"	140	126	0.22

Atom	x (Å)	y (Å)
O1	1.338	0.274
H2	1.894	1.056
O3	-0.398	1.727
C4	0.000	0.566
C5	-0.885	-0.630
H6	-1.937	-0.405
C7	-0.406	-1.893
H8	0.651	-2.095
H9	-1.082	-2.735

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9591	2.2637	1.3694	2.4003	3.3445	2.7822	2.4670	3.8619
H2	0.9591		2.3880	1.9562	3.2507	4.0997	3.7401	3.3873	4.8197
O3	2.2637	2.3880		1.2276	2.4074	2.6297	3.6204	3.9638	4.5146
C4	1.3694	1.9562	1.2276		1.4882	2.1666	2.4924	2.7396	3.4739
C5	2.4003	3.2507	2.4074	1.4882		1.0753	1.3506	2.1229	2.1141
H6	3.3445	4.0997	2.6297	2.1666	1.0753		2.1345	3.0909	2.4818
C7	2.7822	3.7401	3.6204	2.4924	1.3506	2.1345		1.0768	1.0797
H8	2.4670	3.3873	3.9638	2.7396	2.1229	3.0909	1.0768		1.8478
H9	3.8619	4.8197	4.5146	3.4739	2.1141	2.4818	1.0797	1.8478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.206	O1	C4	C5	114.212
H2	O1	C4	113.121	O3	C4	C5	124.582
C4	C5	H6	114.420	C4	C5	C7	122.727
C5	C7	H8	121.582	C5	C7	H9	120.481
H6	C5	C7	122.854	H8	C7	H9	117.937

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	-0.473
2	H	0.434
3	O	-0.239
4	C	-0.040
5	C	0.072
6	H	0.286
7	C	-0.436
8	H	0.233
9	H	0.163

	x	y	z	Total
	0.899	-2.739	0.000	2.883
CHELPG
AIM
ESP

	x	y	z
x	4.755	-0.638	0.000
y	-0.638	8.540	0.000
z	0.000	0.000	2.589

<r²>	91.405
(<r²>)^1/2	9.561

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

using model chemistry: HF/CEP-31G

States and conformations

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