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	hartrees
Energy at 0K	-267.002984
Energy at 298.15K	-266.996884
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3700	3553	58.55
2	A'	3268	3138	5.12
3	A'	3217	3089	2.37
4	A'	3179	3053	4.63
5	A'	1829	1756	304.72
6	A'	1706	1638	11.11
7	A'	1467	1409	28.53
8	A'	1386	1331	51.36
9	A'	1322	1270	1.39
10	A'	1225	1177	178.75
11	A'	1044	1003	77.52
12	A'	842	809	6.88
13	A'	584	561	42.60
14	A'	532	511	7.89
15	A'	281	270	0.88
16	A"	1036	995	19.19
17	A"	996	956	28.52
18	A"	827	794	42.32
19	A"	620	595	97.38
20	A"	482	463	9.07
21	A"	111	107	0.10

Atom	x (Å)	y (Å)
O1	1.340	0.341
H2	1.753	1.224
O3	-0.472	1.685
C4	0.000	0.566
C5	-0.810	-0.673
H6	-1.880	-0.493
C7	-0.299	-1.907
H8	0.773	-2.078
H9	-0.942	-2.782

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9751	2.2561	1.3586	2.3766	3.3264	2.7816	2.4840	3.8679
H2	0.9751		2.2719	1.8723	3.1884	4.0185	3.7433	3.4440	4.8284
O3	2.2561	2.2719		1.2147	2.3826	2.5940	3.5965	3.9636	4.4923
C4	1.3586	1.8723	1.2147		1.4802	2.1580	2.4909	2.7544	3.4782
C5	2.3766	3.1884	2.3826	1.4802		1.0858	1.3354	2.1161	2.1133
H6	3.3264	4.0185	2.5940	2.1580	1.0858		2.1216	3.0908	2.4742
C7	2.7816	3.7433	3.5965	2.4909	1.3354	2.1216		1.0854	1.0863
H8	2.4840	3.4440	3.9636	2.7544	2.1161	3.0908	1.0854		1.8544
H9	3.8679	4.8284	4.4923	3.4782	2.1133	2.4742	1.0863	1.8544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.393	O1	C4	C5	113.621
H2	O1	C4	105.519	O3	C4	C5	123.986
C4	C5	H6	113.603	C4	C5	C7	124.345
C5	C7	H8	121.545	C5	C7	H9	121.188
H6	C5	C7	122.052	H8	C7	H9	117.267

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

using model chemistry: G3B3

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	CHELPG	ESP
1	O	-0.580	-0.566	-0.551
2	H	0.411	0.408	0.407
3	O	-0.470	-0.529	-0.516
4	C	0.563	0.692	0.668
5	C	-0.118	-0.194	-0.203
6	H	0.161	0.124	0.141
7	C	-0.310	-0.213	-0.272
8	H	0.181	0.143	0.166
9	H	0.161	0.135	0.159

	x	y	z	Total
	0.860	-1.813	0.000	2.007
CHELPG	0.854	-1.878	0.000	2.063
AIM
ESP	0.855	-1.848	0.000	2.036

<r²>	110.012
(<r²>)^1/2	10.489

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

using model chemistry: G3B3

States and conformations

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