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	hartrees
Energy at 0K	-267.186401
Energy at 298.15K	-267.191039
Nuclear repulsion energy	162.121431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3637	83.54
2	A'	3262	3145	2.82
3	A'	3213	3098	1.89
4	A'	3168	3055	3.95
5	A'	1797	1733	383.61
6	A'	1688	1627	18.94
7	A'	1451	1399	27.34
8	A'	1361	1312	74.70
9	A'	1313	1266	1.79
10	A'	1203	1160	165.04
11	A'	1037	999	90.95
12	A'	837	807	6.77
13	A'	582	562	42.02
14	A'	532	513	7.57
15	A'	281	271	1.00
16	A"	1026	989	22.45
17	A"	1005	969	37.90
18	A"	830	800	39.28
19	A"	593	572	94.76
20	A"	482	465	17.11
21	A"	113	109	0.06

Atom	x (Å)	y (Å)
O1	1.342	0.346
H2	1.767	1.219
O3	-0.474	1.686
C4	0.000	0.565
C5	-0.811	-0.674
H6	-1.881	-0.493
C7	-0.299	-1.910
H8	0.773	-2.081
H9	-0.946	-2.782

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9713	2.2564	1.3595	2.3816	3.3299	2.7891	2.4921	3.8748
H2	0.9713		2.2889	1.8844	3.1979	4.0297	3.7494	3.4461	4.8338
O3	2.2564	2.2889		1.2168	2.3832	2.5935	3.5995	3.9669	4.4919
C4	1.3595	1.8844	1.2168		1.4801	2.1578	2.4925	2.7557	3.4774
C5	2.3816	3.1979	2.3832	1.4801		1.0853	1.3377	2.1179	2.1121
H6	3.3299	4.0297	2.5935	2.1578	1.0853		2.1233	3.0919	2.4718
C7	2.7891	3.7494	3.5995	2.4925	1.3377	2.1233		1.0852	1.0857
H8	2.4921	3.4461	3.9669	2.7557	2.1179	3.0919	1.0852		1.8563
H9	3.8748	4.8338	4.4919	3.4774	2.1121	2.4718	1.0857	1.8563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.182	O1	C4	C5	113.934
H2	O1	C4	106.700	O3	C4	C5	123.884
C4	C5	H6	113.627	C4	C5	C7	124.313
C5	C7	H8	121.535	C5	C7	H9	120.925
H6	C5	C7	122.060	H8	C7	H9	117.540

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

using model chemistry: B3LYP/6-31+G**

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	-0.484	-0.601
2	H	0.371	0.425
3	O	-0.471	-0.572
4	C	0.288	0.759
5	C	0.132	-0.224
6	H	0.153	0.148
7	C	-0.309	-0.280
8	H	0.170	0.177
9	H	0.150	0.168

	x	y	z	Total
	0.870	-2.097	0.000	2.271
CHELPG
AIM
ESP	0.871	-2.150	0.000	2.320

	x	y	z
x	6.328	-0.402	-0.000
y	-0.402	9.314	0.000
z	-0.000	0.000	4.007

<r²>	110.931
(<r²>)^1/2	10.532

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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