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	hartrees
Energy at 0K	-264.671961
Energy at 298.15K	-264.676652
HF Energy	-264.161717
Nuclear repulsion energy	160.445826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3349	29.75
2	A'	3291	3131	3.95
3	A'	3233	3076	2.16
4	A'	3196	3040	3.22
5	A'	1743	1658	94.11
6	A'	1666	1585	34.95
7	A'	1512	1438	13.22
8	A'	1396	1328	28.81
9	A'	1352	1286	2.47
10	A'	1191	1133	90.06
11	A'	1034	983	189.16
12	A'	807	768	5.50
13	A'	582	554	36.65
14	A'	527	502	11.46
15	A'	304	289	0.36
16	A"	1051	1000	34.08
17	A"	1009	960	34.87
18	A"	820	780	36.16
19	A"	597	568	137.46
20	A"	495	471	18.39
21	A"	127	121	0.94

Atom	x (Å)	y (Å)
O1	1.359	0.243
H2	1.871	1.096
O3	-0.401	1.745
C4	0.000	0.573
C5	-0.859	-0.642
H6	-1.925	-0.442
C7	-0.360	-1.887
H8	0.711	-2.056
H9	-1.006	-2.759

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9952	2.3139	1.3981	2.3874	3.3544	2.7368	2.3886	3.8212
H2	0.9952		2.3633	1.9430	3.2362	4.0960	3.7250	3.3589	4.8101
O3	2.3139	2.3633		1.2394	2.4309	2.6663	3.6329	3.9610	4.5450
C4	1.3981	1.9430	1.2394		1.4876	2.1762	2.4861	2.7234	3.4803
C5	2.3874	3.2362	2.4309	1.4876		1.0847	1.3415	2.1129	2.1222
H6	3.3544	4.0960	2.6663	2.1762	1.0847		2.1302	3.0908	2.4926
C7	2.7368	3.7250	3.6329	2.4861	1.3415	2.1302		1.0840	1.0851
H8	2.3886	3.3589	3.9610	2.7234	2.1129	3.0908	1.0840		1.8549
H9	3.8212	4.8101	4.5450	3.4803	2.1222	2.4926	1.0851	1.8549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.521	O1	C4	C5	111.615
H2	O1	C4	107.358	O3	C4	C5	125.864
C4	C5	H6	114.653	C4	C5	C7	122.902
C5	C7	H8	120.809	C5	C7	H9	121.635
H6	C5	C7	122.445	H8	C7	H9	117.556

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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