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	hartrees
Energy at 0K	-267.098186
Energy at 298.15K	-267.102858
Nuclear repulsion energy	163.008654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3839	3653	77.27
2	A'	3296	3136	2.80
3	A'	3246	3088	1.38
4	A'	3198	3043	3.32
5	A'	1866	1775	325.00
6	A'	1724	1640	10.99
7	A'	1467	1395	53.82
8	A'	1397	1330	58.66
9	A'	1315	1251	1.23
10	A'	1228	1168	169.78
11	A'	1048	998	62.30
12	A'	856	815	9.56
13	A'	588	560	44.43
14	A'	536	510	8.30
15	A'	282	268	0.90
16	A"	1040	989	20.30
17	A"	1007	958	33.08
18	A"	838	797	45.12
19	A"	618	588	97.44
20	A"	484	461	11.64
21	A"	110	105	0.11

Atom	x (Å)	y (Å)
O1	1.330	0.341
H2	1.742	1.216
O3	-0.472	1.679
C4	0.000	0.564
C5	-0.807	-0.672
H6	-1.877	-0.496
C7	-0.290	-1.899
H8	0.782	-2.057
H9	-0.926	-2.777

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9669	2.2441	1.3484	2.3650	3.3143	2.7640	2.4591	3.8482
H2	0.9669		2.2613	1.8594	3.1717	4.0031	3.7185	3.4099	4.8017
O3	2.2441	2.2613		1.2103	2.3742	2.5893	3.5821	3.9401	4.4783
C4	1.3484	1.8594	1.2103		1.4763	2.1559	2.4800	2.7350	3.4668
C5	2.3650	3.1717	2.3742	1.4763		1.0839	1.3318	2.1084	2.1082
H6	3.3143	4.0031	2.5893	2.1559	1.0839		2.1181	3.0834	2.4705
C7	2.7640	3.7185	3.5821	2.4800	1.3318	2.1181		1.0838	1.0842
H8	2.4591	3.4099	3.9401	2.7350	2.1084	3.0834	1.0838		1.8543
H9	3.8482	4.8017	4.4783	3.4668	2.1082	2.4705	1.0842	1.8543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.480	O1	C4	C5	113.628
H2	O1	C4	105.672	O3	C4	C5	123.892
C4	C5	H6	113.842	C4	C5	C7	123.971
C5	C7	H8	121.233	C5	C7	H9	121.180
H6	C5	C7	122.187	H8	C7	H9	117.587

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

using model chemistry: mPW1PW91/6-31G**

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	-0.515
2	H	0.339
3	O	-0.482
4	C	0.587
5	C	-0.136
6	H	0.157
7	C	-0.265
8	H	0.167
9	H	0.149

	x	y	z	Total
	0.919	-1.838	0.000	2.055
CHELPG
AIM
ESP

<r²>	109.046
(<r²>)^1/2	10.443

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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