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	hartrees
Energy at 0K	-265.685615
Energy at 298.15K	-265.690548
Nuclear repulsion energy	164.701558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4129	3739	121.63
2	A'	3404	3083	4.03
3	A'	3363	3045	2.15
4	A'	3313	3000	5.65
5	A'	2012	1822	498.79
6	A'	1839	1665	9.70
7	A'	1568	1420	46.95
8	A'	1496	1354	73.05
9	A'	1411	1278	2.73
10	A'	1338	1211	199.70
11	A'	1125	1019	55.09
12	A'	904	818	11.90
13	A'	638	577	51.65
14	A'	576	521	7.59
15	A'	304	275	1.44
16	A"	1141	1033	4.19
17	A"	1132	1025	47.39
18	A"	938	850	54.96
19	A"	638	578	94.66
20	A"	530	480	20.94
21	A"	122	111	0.01

Atom	x (Å)	y (Å)
O1	1.314	0.371
H2	1.731	1.219
O3	-0.481	1.648
C4	0.000	0.567
C5	-0.797	-0.683
H6	-1.858	-0.517
C7	-0.273	-1.890
H8	0.789	-2.045
H9	-0.898	-2.766

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9451	2.2031	1.3283	2.3591	3.2937	2.7625	2.4720	3.8378
H2	0.9451		2.2530	1.8493	3.1631	3.9864	3.6991	3.3970	4.7735
O3	2.2031	2.2530		1.1835	2.3522	2.5657	3.5445	3.9056	4.4333
C4	1.3283	1.8493	1.1835		1.4823	2.1511	2.4724	2.7286	3.4514
C5	2.3591	3.1631	2.3522	1.4823		1.0740	1.3161	2.0910	2.0852
H6	3.2937	3.9864	2.5657	2.1511	1.0740		2.0971	3.0569	2.4451
C7	2.7625	3.6991	3.5445	2.4724	1.3161	2.0971		1.0740	1.0753
H8	2.4720	3.3970	3.9056	2.7286	2.0910	3.0569	1.0740		1.8349
H9	3.8378	4.7735	4.4333	3.4514	2.0852	2.4451	1.0753	1.8349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.489	O1	C4	C5	114.035
H2	O1	C4	107.676	O3	C4	C5	123.476
C4	C5	H6	113.639	C4	C5	C7	124.028
C5	C7	H8	121.727	C5	C7	H9	121.042
H6	C5	C7	122.333	H8	C7	H9	117.231

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

using model chemistry: HF/6-31G(2df,p)

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	-0.513
2	H	0.348
3	O	-0.464
4	C	0.593
5	C	-0.177
6	H	0.176
7	C	-0.322
8	H	0.188
9	H	0.170

	x	y	z	Total
	0.998	-2.088	0.000	2.314
CHELPG
AIM
ESP

	x	y	z
x	5.245	-0.402	0.000
y	-0.402	7.865	0.000
z	0.000	0.000	2.901

<r²>	107.833
(<r²>)^1/2	10.384

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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