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	hartrees
Energy at 0K	-265.768168
Energy at 298.15K	-265.772750
Nuclear repulsion energy	163.186912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3651	3591	65.43
2	A'	3198	3146	1.07
3	A'	3145	3093	0.41
4	A'	3098	3047	1.35
5	A'	1817	1788	252.63
6	A'	1682	1654	11.91
7	A'	1417	1394	82.74
8	A'	1345	1323	30.31
9	A'	1250	1230	0.71
10	A'	1170	1151	147.58
11	A'	1006	990	50.02
12	A'	842	828	11.39
13	A'	565	556	45.65
14	A'	520	512	9.84
15	A'	277	273	0.63
16	A"	996	980	16.85
17	A"	947	932	32.64
18	A"	814	801	43.74
19	A"	621	611	88.34
20	A"	472	464	9.71
21	A"	113	111	0.15

Atom	x (Å)	y (Å)
O1	1.323	0.310
H2	1.738	1.201
O3	-0.452	1.687
C4	0.000	0.558
C5	-0.817	-0.657
H6	-1.896	-0.471
C7	-0.296	-1.885
H8	0.791	-2.021
H9	-0.928	-2.779

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9825	2.2473	1.3464	2.3487	3.3127	2.7272	2.3910	3.8217
H2	0.9825		2.2432	1.8529	3.1589	3.9997	3.6953	3.3581	4.7894
O3	2.2473	2.2432		1.2169	2.3730	2.5966	3.5756	3.9115	4.4913
C4	1.3464	1.8529	1.2169		1.4641	2.1569	2.4602	2.6975	3.4627
C5	2.3487	3.1589	2.3730	1.4641		1.0951	1.3334	2.1086	2.1241
H6	3.3127	3.9997	2.5966	2.1569	1.0951		2.1355	3.1025	2.5028
C7	2.7272	3.6953	3.5756	2.4602	1.3334	2.1355		1.0955	1.0946
H8	2.3910	3.3581	3.9115	2.6975	2.1086	3.1025	1.0955		1.8782
H9	3.8217	4.7894	4.4913	3.4627	2.1241	2.5028	1.0946	1.8782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.413	O1	C4	C5	113.312
H2	O1	C4	104.333	O3	C4	C5	124.275
C4	C5	H6	114.104	C4	C5	C7	123.077
C5	C7	H8	120.164	C5	C7	H9	121.740
H6	C5	C7	122.819	H8	C7	H9	118.096

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

using model chemistry: SVWN/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	-0.458
2	H	0.339
3	O	-0.416
4	C	0.447
5	C	-0.083
6	H	0.147
7	C	-0.283
8	H	0.162
9	H	0.146

	x	y	z	Total
	0.912	-1.712	0.000	1.940
CHELPG
AIM
ESP

	x	y	z
x	5.729	-0.058	0.000
y	-0.058	8.288	0.000
z	0.000	0.000	2.396

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-31G**

States and conformations

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