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	hartrees
Energy at 0K	-50.498125
Energy at 298.15K	-50.502610
HF Energy	-50.041341
Nuclear repulsion energy	84.646945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3653	3530	51.79
2	A'	3283	3172	19.14
3	A'	3210	3102	8.70
4	A'	3163	3057	13.38
5	A'	1692	1635	84.92
6	A'	1598	1544	112.08
7	A'	1454	1405	14.14
8	A'	1344	1299	40.67
9	A'	1311	1267	12.50
10	A'	1177	1137	126.36
11	A'	995	962	165.67
12	A'	793	767	16.30
13	A'	549	531	33.02
14	A'	506	489	15.41
15	A'	273	264	0.78
16	A"	1016	982	55.19
17	A"	913	882	37.59
18	A"	768	742	27.54
19	A"	587	567	175.18
20	A"	470	454	10.46
21	A"	107	103	0.28

Atom	x (Å)	y (Å)
O1	1.394	0.278
H2	1.920	1.118
O3	-0.426	1.777
C4	0.000	0.579
C5	-0.871	-0.657
H6	-1.951	-0.453
C7	-0.361	-1.948
H8	0.720	-2.134
H9	-1.043	-2.813

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9914	2.3577	1.4261	2.4506	3.4241	2.8352	2.5049	3.9362
H2	0.9914		2.4368	1.9948	3.3082	4.1782	3.8223	3.4670	4.9229
O3	2.3577	2.4368		1.2719	2.4745	2.7020	3.7259	4.0758	4.6312
C4	1.4261	1.9948	1.2719		1.5117	2.2070	2.5524	2.8068	3.5480
C5	2.4506	3.3082	2.4745	1.5117		1.0990	1.3883	2.1714	2.1627
H6	3.4241	4.1782	2.7020	2.2070	1.0990		2.1823	3.1562	2.5283
C7	2.8352	3.8223	3.7259	2.5524	1.3883	2.1823		1.0973	1.1010
H8	2.5049	3.4670	4.0758	2.8068	2.1714	3.1562	1.0973		1.8892
H9	3.9362	4.9229	4.6312	3.5480	2.1627	2.5283	1.1010	1.8892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.711	O1	C4	C5	113.028
H2	O1	C4	109.904	O3	C4	C5	125.261
C4	C5	H6	114.499	C4	C5	C7	123.268
C5	C7	H8	121.311	C5	C7	H9	120.200
H6	C5	C7	122.233	H8	C7	H9	118.489

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

using model chemistry: MP2/CEP-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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All results from a given calculation for C3H4O2 (2-Propenoic acid)

using model chemistry: MP2/CEP-31G

States and conformations

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