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	hartrees
Energy at 0K	-266.972293
Energy at 298.15K	-266.976988
Nuclear repulsion energy	161.301463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3664	3509	46.81
2	A'	3295	3156	4.61
3	A'	3238	3101	1.92
4	A'	3193	3058	4.82
5	A'	1766	1692	220.16
6	A'	1693	1622	69.08
7	A'	1481	1418	26.94
8	A'	1392	1333	59.85
9	A'	1340	1283	3.47
10	A'	1192	1142	119.52
11	A'	1042	998	144.83
12	A'	843	808	2.71
13	A'	583	558	37.66
14	A'	536	514	16.46
15	A'	282	270	1.10
16	A"	1051	1007	3.47
17	A"	1039	995	70.90
18	A"	826	791	40.72
19	A"	614	588	155.51
20	A"	489	468	15.91
21	A"	127	122	0.35

Atom	x (Å)	y (Å)
O1	1.355	0.303
H2	1.850	1.147
O3	-0.445	1.712
C4	0.000	0.558
C5	-0.828	-0.654
H6	-1.895	-0.456
C7	-0.335	-1.899
H8	0.734	-2.082
H9	-0.991	-2.764

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9788	2.2852	1.3783	2.3829	3.3365	2.7756	2.4642	3.8609
H2	0.9788		2.3636	1.9419	3.2274	4.0736	3.7490	3.4163	4.8340
O3	2.2852	2.3636		1.2368	2.3968	2.6083	3.6127	3.9726	4.5092
C4	1.3783	1.9419	1.2368		1.4676	2.1488	2.4796	2.7397	3.4664
C5	2.3829	3.2274	2.3968	1.4676		1.0849	1.3389	2.1159	2.1163
H6	3.3365	4.0736	2.6083	2.1488	1.0849		2.1244	3.0905	2.4785
C7	2.7756	3.7490	3.6127	2.4796	1.3389	2.1244		1.0846	1.0853
H8	2.4642	3.4163	3.9726	2.7397	2.1159	3.0905	1.0846		1.8547
H9	3.8609	4.8340	4.5092	3.4664	2.1163	2.4785	1.0853	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.723	O1	C4	C5	113.681
H2	O1	C4	109.784	O3	C4	C5	124.595
C4	C5	H6	113.828	C4	C5	C7	124.080
C5	C7	H8	121.282	C5	C7	H9	121.258
H6	C5	C7	122.092	H8	C7	H9	117.459

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

using model chemistry: B3PW91/6-31G

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	-0.584
2	H	0.401
3	O	-0.429
4	C	0.472
5	C	-0.119
6	H	0.195
7	C	-0.314
8	H	0.204
9	H	0.174

	x	y	z	Total
	0.835	-2.004	0.000	2.171
CHELPG
AIM
ESP

<r²>	110.893
(<r²>)^1/2	10.531

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

using model chemistry: B3PW91/6-31G

States and conformations

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