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	hartrees
Energy at 0K	-265.665521
Energy at 298.15K	-265.670448
Nuclear repulsion energy	164.380968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4136	3733	128.48
2	A'	3425	3091	4.73
3	A'	3382	3052	2.24
4	A'	3331	3007	6.42
5	A'	2027	1830	523.80
6	A'	1850	1670	9.84
7	A'	1578	1424	55.33
8	A'	1504	1358	90.16
9	A'	1420	1282	3.14
10	A'	1342	1211	199.39
11	A'	1136	1025	57.75
12	A'	911	822	11.88
13	A'	639	577	52.95
14	A'	578	522	10.29
15	A'	306	276	1.41
16	A"	1143	1032	23.17
17	A"	1126	1017	38.08
18	A"	918	829	70.29
19	A"	643	580	113.73
20	A"	527	475	20.63
21	A"	122	111	0.04

Atom	x (Å)	y (Å)
O1	1.316	0.368
H2	1.739	1.216
O3	-0.479	1.654
C4	0.000	0.565
C5	-0.800	-0.682
H6	-1.862	-0.518
C7	-0.276	-1.893
H8	0.787	-2.048
H9	-0.903	-2.766

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9477	2.2078	1.3304	2.3620	3.2985	2.7649	2.4736	3.8401
H2	0.9477		2.2609	1.8568	3.1701	3.9964	3.7047	3.4004	4.7789
O3	2.2078	2.2609		1.1895	2.3580	2.5745	3.5526	3.9128	4.4402
C4	1.3304	1.8568	1.1895		1.4818	2.1538	2.4734	2.7295	3.4514
C5	2.3620	3.1701	2.3580	1.4818		1.0743	1.3194	2.0941	2.0864
H6	3.2985	3.9964	2.5745	2.1538	1.0743		2.0989	3.0590	2.4438
C7	2.7649	3.7047	3.5526	2.4734	1.3194	2.0989		1.0741	1.0753
H8	2.4736	3.4004	3.9128	2.7295	2.0941	3.0590	1.0741		1.8364
H9	3.8401	4.7789	4.4402	3.4514	2.0864	2.4438	1.0753	1.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.271	O1	C4	C5	114.157
H2	O1	C4	108.014	O3	C4	C5	123.572
C4	C5	H6	113.884	C4	C5	C7	123.913
C5	C7	H8	121.738	C5	C7	H9	120.880
H6	C5	C7	122.204	H8	C7	H9	117.383

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

using model chemistry: HF/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	CHELPG
1	O	-0.614	-0.671
2	H	0.362	0.450
3	O	-0.566	-0.641
4	C	0.762	0.904
5	C	-0.208	-0.282
6	H	0.176	0.145
7	C	-0.237	-0.216
8	H	0.173	0.160
9	H	0.151	0.150

	x	y	z	Total
	1.033	-2.158	0.000	2.392
CHELPG
AIM
ESP

	x	y	z
x	5.003	-0.532	0.000
y	-0.532	7.737	0.000
z	0.000	0.000	2.304

<r²>	108.259
(<r²>)^1/2	10.405

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

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

States and conformations

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