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	hartrees
Energy at 0K	-265.682471
Energy at 298.15K	-265.687216
Nuclear repulsion energy	161.592153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3375	23.87
2	A'	3269	3155	3.37
3	A'	3224	3111	1.54
4	A'	3177	3065	3.68
5	A'	1772	1710	196.94
6	A'	1694	1634	17.19
7	A'	1489	1437	22.18
8	A'	1386	1337	28.88
9	A'	1342	1295	2.70
10	A'	1184	1142	102.98
11	A'	1032	995	165.96
12	A'	820	791	4.06
13	A'	581	560	33.76
14	A'	530	511	15.27
15	A'	302	292	0.56
16	A"	1061	1024	16.78
17	A"	1027	991	51.08
18	A"	839	810	41.09
19	A"	598	577	119.76
20	A"	499	482	23.39
21	A"	144	139	1.03

Atom	x (Å)	y (Å)
O1	1.349	0.249
H2	1.864	1.101
O3	-0.403	1.727
C4	0.000	0.567
C5	-0.850	-0.639
H6	-1.913	-0.433
C7	-0.356	-1.876
H8	0.715	-2.040
H9	-1.000	-2.748

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9960	2.2919	1.3857	2.3712	3.3324	2.7236	2.3749	3.8074
H2	0.9960		2.3520	1.9393	3.2242	4.0774	3.7133	3.3446	4.7977
O3	2.2919	2.3520		1.2280	2.4082	2.6365	3.6036	3.9299	4.5153
C4	1.3857	1.9393	1.2280		1.4756	2.1591	2.4689	2.7038	3.4629
C5	2.3712	3.2242	2.4082	1.4756		1.0828	1.3323	2.1011	2.1147
H6	3.3324	4.0774	2.6365	2.1591	1.0828		2.1231	3.0808	2.4887
C7	2.7236	3.7133	3.6036	2.4689	1.3323	2.1231		1.0833	1.0844
H8	2.3749	3.3446	3.9299	2.7038	2.1011	3.0808	1.0833		1.8553
H9	3.8074	4.7977	4.5153	3.4629	2.1147	2.4887	1.0844	1.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.424	O1	C4	C5	111.893
H2	O1	C4	107.904	O3	C4	C5	125.682
C4	C5	H6	114.243	C4	C5	C7	123.022
C5	C7	H8	120.519	C5	C7	H9	121.766
H6	C5	C7	122.735	H8	C7	H9	117.716

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

using model chemistry: B3LYP/3-21G

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	ESP
1	O	-0.563	-0.597
2	H	0.365	0.421
3	O	-0.488	-0.517
4	C	0.621	0.770
5	C	-0.251	-0.356
6	H	0.219	0.188
7	C	-0.334	-0.243
8	H	0.227	0.165
9	H	0.204	0.168

	x	y	z	Total
	0.808	-1.599	0.000	1.792
CHELPG
AIM
ESP	0.804	-1.620	0.000	1.809

	x	y	z
x	5.124	-0.068	0.000
y	-0.068	7.624	0.000
z	0.000	0.000	1.612

<r²>	110.001
(<r²>)^1/2	10.488

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

using model chemistry: B3LYP/3-21G

States and conformations

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