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	hartrees
Energy at 0K	-265.757865
Energy at 298.15K	-265.762798
Nuclear repulsion energy	164.816705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4132	3754	133.88
2	A'	3390	3080	2.56
3	A'	3350	3044	1.26
4	A'	3300	2998	5.46
5	A'	1987	1806	569.58
6	A'	1820	1654	14.57
7	A'	1566	1423	40.00
8	A'	1488	1352	90.52
9	A'	1415	1285	3.26
10	A'	1332	1210	197.61
11	A'	1128	1025	57.56
12	A'	903	820	11.79
13	A'	640	581	52.15
14	A'	576	524	6.74
15	A'	305	277	1.64
16	A"	1143	1039	15.20
17	A"	1121	1018	49.73
18	A"	931	845	54.40
19	A"	628	570	86.65
20	A"	527	479	28.74
21	A"	121	110	0.00

Atom	x (Å)	y (Å)
O1	1.312	0.379
H2	1.733	1.224
O3	-0.486	1.643
C4	0.000	0.565
C5	-0.795	-0.685
H6	-1.855	-0.524
C7	-0.269	-1.891
H8	0.792	-2.044
H9	-0.894	-2.764

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9441	2.1989	1.3255	2.3605	3.2935	2.7661	2.4778	3.8395
H2	0.9441		2.2584	1.8536	3.1676	3.9910	3.7027	3.4006	4.7751
O3	2.1989	2.2584		1.1826	2.3487	2.5634	3.5412	3.9029	4.4262
C4	1.3255	1.8536	1.1826		1.4817	2.1513	2.4712	2.7272	3.4473
C5	2.3605	3.1676	2.3487	1.4817		1.0722	1.3159	2.0898	2.0814
H6	3.2935	3.9910	2.5634	2.1513	1.0722		2.0941	3.0529	2.4377
C7	2.7661	3.7027	3.5412	2.4712	1.3159	2.0941		1.0723	1.0734
H8	2.4778	3.4006	3.9029	2.7272	2.0898	3.0529	1.0723		1.8333
H9	3.8395	4.7751	4.4262	3.4473	2.0814	2.4377	1.0734	1.8333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.388	O1	C4	C5	114.349
H2	O1	C4	108.341	O3	C4	C5	123.263
C4	C5	H6	113.817	C4	C5	C7	123.979
C5	C7	H8	121.773	C5	C7	H9	120.842
H6	C5	C7	122.204	H8	C7	H9	117.385

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.685
2	H	0.250
3	O	-0.907
4	C	1.210
5	C	-0.102
6	H	0.134
7	C	-0.190
8	H	0.147
9	H	0.142

	x	y	z	Total
	1.036	-2.262	0.000	2.488
CHELPG
AIM
ESP

	x	y	z
x	5.894	-0.452	0.000
y	-0.452	8.654	0.000
z	0.000	0.000	4.326

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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