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	hartrees
Energy at 0K	-267.155421
Energy at 298.15K	-267.160127
Nuclear repulsion energy	163.351479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3809	3636	55.00
2	A'	3274	3125	4.80
3	A'	3227	3080	2.54
4	A'	3178	3033	6.52
5	A'	1852	1768	358.47
6	A'	1714	1636	13.38
7	A'	1463	1397	39.37
8	A'	1391	1328	45.60
9	A'	1321	1261	1.82
10	A'	1242	1185	201.25
11	A'	1050	1002	73.22
12	A'	854	815	9.42
13	A'	594	567	46.18
14	A'	539	514	7.42
15	A'	283	270	0.94
16	A"	1039	992	24.93
17	A"	1002	956	38.29
18	A"	850	811	50.45
19	A"	633	604	105.15
20	A"	489	466	14.61
21	A"	113	108	0.19

Atom	x (Å)	y (Å)
O1	1.328	0.339
H2	1.754	1.204
O3	-0.467	1.674
C4	0.000	0.565
C5	-0.807	-0.669
H6	-1.876	-0.493
C7	-0.294	-1.895
H8	0.777	-2.057
H9	-0.932	-2.771

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9642	2.2367	1.3467	2.3612	3.3104	2.7603	2.4587	3.8442
H2	0.9642		2.2701	1.8668	3.1732	4.0075	3.7142	3.4043	4.7973
O3	2.2367	2.2701		1.2038	2.3681	2.5855	3.5732	3.9332	4.4694
C4	1.3467	1.8668	1.2038		1.4746	2.1541	2.4769	2.7345	3.4634
C5	2.3612	3.1732	2.3681	1.4746		1.0834	1.3287	2.1062	2.1054
H6	3.3104	4.0075	2.5855	2.1541	1.0834		2.1139	3.0799	2.4657
C7	2.7603	3.7142	3.5732	2.4769	1.3287	2.1139		1.0831	1.0839
H8	2.4587	3.4043	3.9332	2.7345	2.1062	3.0799	1.0831		1.8519
H9	3.8442	4.7973	4.4694	3.4634	2.1054	2.4657	1.0839	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.463	O1	C4	C5	113.554
H2	O1	C4	106.598	O3	C4	C5	123.984
C4	C5	H6	113.851	C4	C5	C7	124.069
C5	C7	H8	121.356	C5	C7	H9	121.206
H6	C5	C7	122.081	H8	C7	H9	117.438

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

using model chemistry: mPW1PW91/6-311G*

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	-0.535
2	H	0.407
3	O	-0.356
4	C	0.459
5	C	-0.322
6	H	0.235
7	C	-0.370
8	H	0.249
9	H	0.234

	x	y	z	Total
	0.918	-1.774	0.000	1.997
CHELPG
AIM
ESP

<r²>	108.985
(<r²>)^1/2	10.440

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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