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	hartrees
Energy at 0K	-266.878163
Energy at 298.15K	-266.882697
Nuclear repulsion energy	161.736949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3646	3608	48.32
2	A'	3189	3157	3.08
3	A'	3136	3103	1.86
4	A'	3095	3063	3.52
5	A'	1759	1741	243.08
6	A'	1641	1624	9.89
7	A'	1402	1388	30.48
8	A'	1330	1316	35.72
9	A'	1264	1251	0.97
10	A'	1167	1155	147.41
11	A'	995	985	72.39
12	A'	816	808	5.70
13	A'	560	555	39.14
14	A'	513	508	6.13
15	A'	270	267	0.70
16	A"	1007	997	15.28
17	A"	952	943	24.24
18	A"	813	805	29.02
19	A"	607	601	75.84
20	A"	468	463	7.94
21	A"	102	101	0.04

Atom	x (Å)	y (Å)
O1	1.345	0.333
H2	1.748	1.224
O3	-0.470	1.694
C4	0.000	0.569
C5	-0.811	-0.671
H6	-1.887	-0.483
C7	-0.304	-1.912
H8	0.775	-2.082
H9	-0.951	-2.792

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9779	2.2692	1.3658	2.3781	3.3339	2.7851	2.4807	3.8780
H2	0.9779		2.2680	1.8670	3.1841	4.0165	3.7473	3.4455	4.8389
O3	2.2692	2.2680		1.2195	2.3894	2.5979	3.6099	3.9760	4.5120
C4	1.3658	1.8670	1.2195		1.4814	2.1608	2.4994	2.7617	3.4931
C5	2.3781	3.1841	2.3894	1.4814		1.0929	1.3406	2.1228	2.1259
H6	3.3339	4.0165	2.5979	2.1608	1.0929		2.1330	3.1058	2.4915
C7	2.7851	3.7473	3.6099	2.4994	1.3406	2.1330		1.0923	1.0929
H8	2.4807	3.4455	3.9760	2.7617	2.1228	3.1058	1.0923		1.8673
H9	3.8780	4.8389	4.5120	3.4931	2.1259	2.4915	1.0929	1.8673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.637	O1	C4	C5	113.220
H2	O1	C4	104.393	O3	C4	C5	124.143
C4	C5	H6	113.289	C4	C5	C7	124.593
C5	C7	H8	121.168	C5	C7	H9	121.423
H6	C5	C7	122.118	H8	C7	H9	117.409

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

using model chemistry: PBEPBE/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	-0.352
2	H	0.294
3	O	-0.329
4	C	0.371
5	C	-0.096
6	H	0.129
7	C	-0.307
8	H	0.150
9	H	0.139

	x	y	z	Total
	0.827	-1.681	0.000	1.873
CHELPG
AIM
ESP

	x	y	z
x	6.019	0.030	0.000
y	0.030	8.613	0.000
z	0.000	0.000	3.003

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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