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	hartrees
Energy at 0K	-51.295886
Energy at 298.15K	-51.300487
Nuclear repulsion energy	86.617030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3622	63.82
2	A'	3257	3145	9.54
3	A'	3212	3102	2.85
4	A'	3162	3053	9.08
5	A'	1800	1739	366.29
6	A'	1687	1629	22.41
7	A'	1437	1388	35.46
8	A'	1361	1314	48.20
9	A'	1293	1249	1.36
10	A'	1219	1177	195.47
11	A'	1016	981	75.98
12	A'	833	804	5.52
13	A'	573	554	39.71
14	A'	520	502	7.07
15	A'	278	268	1.15
16	A"	1033	997	45.60
17	A"	999	965	41.33
18	A"	818	790	34.91
19	A"	601	581	102.31
20	A"	487	470	16.01
21	A"	116	112	0.18

Atom	x (Å)	y (Å)
O1	1.344	0.295
H2	1.789	1.167
O3	-0.428	1.724
C4	0.000	0.574
C5	-0.871	-0.647
H6	-1.943	-0.436
C7	-0.376	-1.916
H8	0.701	-2.107
H9	-1.049	-2.781

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9788	2.2766	1.3722	2.4064	3.3670	2.8006	2.4861	3.8966
H2	0.9788		2.2861	1.8843	3.2188	4.0614	3.7665	3.4494	4.8614
O3	2.2766	2.2861		1.2278	2.4117	2.6384	3.6405	3.9937	4.5472
C4	1.3722	1.8843	1.2278		1.4991	2.1899	2.5177	2.7703	3.5144
C5	2.4064	3.2188	2.4117	1.4991		1.0926	1.3625	2.1451	2.1413
H6	3.3670	4.0614	2.6384	2.1899	1.0926		2.1556	3.1273	2.5089
C7	2.8006	3.7665	3.6405	2.5177	1.3625	2.1556		1.0930	1.0960
H8	2.4861	3.4494	3.9937	2.7703	2.1451	3.1273	1.0930		1.8752
H9	3.8966	4.8614	4.5472	3.5144	2.1413	2.5089	1.0960	1.8752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.146	O1	C4	C5	113.801
H2	O1	C4	105.322	O3	C4	C5	124.053
C4	C5	H6	114.417	C4	C5	C7	123.165
C5	C7	H8	121.364	C5	C7	H9	120.760
H6	C5	C7	122.418	H8	C7	H9	117.876

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

using model chemistry: B3LYP/CEP-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	-0.322
2	H	0.414
3	O	-0.115
4	C	-0.255
5	C	0.065
6	H	0.319
7	C	-0.583
8	H	0.270
9	H	0.207

	x	y	z	Total
	0.759	-2.103	0.000	2.236
CHELPG
AIM
ESP

	x	y	z
x	5.433	-0.238	-0.001
y	-0.238	8.746	0.000
z	-0.001	0.000	2.974

<r²>	91.414
(<r²>)^1/2	9.561

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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