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	hartrees
Energy at 0K	-57.278401
Energy at 298.15K	-57.284764
HF Energy	-56.678771
Nuclear repulsion energy	119.619468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3221	3144	11.61
2	A	3172	3096	3.34
3	A	3168	3092	17.99
4	A	3125	3050	28.74
5	A	3103	3029	6.73
6	A	3005	2933	34.09
7	A	1640	1601	28.54
8	A	1617	1578	106.76
9	A	1523	1486	6.88
10	A	1503	1467	7.47
11	A	1479	1443	13.70
12	A	1453	1418	51.03
13	A	1322	1291	20.10
14	A	1192	1163	29.36
15	A	1167	1139	433.50
16	A	1152	1124	1.34
17	A	1087	1061	9.52
18	A	986	962	44.08
19	A	951	928	23.85
20	A	880	859	34.39
21	A	804	784	18.23
22	A	742	724	17.82
23	A	636	621	7.42
24	A	490	478	0.29
25	A	455	444	1.13
26	A	320	312	16.37
27	A	210	205	5.10
28	A	183	179	10.58
29	A	128	125	0.70
30	A	79	78	2.26

Atom	x (Å)	y (Å)	z (Å)
H1	3.065	-0.929	-0.001
H2	2.467	0.530	0.901
H3	2.467	0.531	-0.899
C4	2.362	-0.091	0.000
O5	1.015	-0.755	-0.000
O6	0.033	1.384	-0.000
C7	-0.093	0.123	-0.000
H8	-1.281	-1.748	0.000
C9	-1.381	-0.662	0.000
H10	-3.526	-0.596	0.000
H11	-2.656	1.064	0.000
C12	-2.594	-0.028	0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8160	1.8160	1.0941	2.0569	3.8138	3.3281	4.4220	4.4531	6.5990	6.0576	5.7298
H2	1.8160		1.8005	1.0988	2.1383	2.7332	2.7445	4.4779	4.1276	6.1645	5.2292	5.1711
H3	1.8160	1.8005		1.0988	2.1383	2.7321	2.7441	4.4784	4.1277	6.1645	5.2287	5.1709
C4	1.0941	1.0988	1.0988		1.5020	2.7571	2.4641	4.0024	3.7858	5.9097	5.1489	4.9564
O5	2.0569	2.1383	2.1383	1.5020		2.3541	1.4135	2.5016	2.3973	4.5438	4.0967	3.6815
O6	3.8138	2.7332	2.7321	2.7571	2.3541		1.2675	3.3970	2.4865	4.0727	2.7075	2.9821
C7	3.3281	2.7445	2.7441	2.4641	1.4135	1.2675		2.2167	1.5079	3.5078	2.7302	2.5057
H8	4.4220	4.4779	4.4784	4.0024	2.5016	3.3970	2.2167		1.0914	2.5235	3.1303	2.1644
C9	4.4531	4.1276	4.1277	3.7858	2.3973	2.4865	1.5079	1.0914		2.1465	2.1455	1.3690
H10	6.5990	6.1645	6.1645	5.9097	4.5438	4.0727	3.5078	2.5235	2.1465		1.8742	1.0918
H11	6.0576	5.2292	5.2287	5.1489	4.0967	2.7075	2.7302	3.1303	2.1455	1.8742		1.0933
C12	5.7298	5.1711	5.1709	4.9564	3.6815	2.9821	2.5057	2.1644	1.3690	1.0918	1.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.824	H1	C4	H3	111.823
H1	C4	O5	103.696	H2	C4	H3	110.034
H2	C4	O5	109.635	H3	C4	O5	109.637
C4	O5	C7	115.346	O5	C7	O6	122.722
O5	C7	C9	110.248	O6	C7	C9	127.030
C7	C9	H8	116.118	C7	C9	C12	121.069
H8	C9	C12	122.813	C9	C12	H10	121.044
C9	C12	H11	120.824	H10	C12	H11	118.132

All results from a given calculation for C₄H₆O₂ (2-Propenoic acid, methyl ester)

using model chemistry: MP2/CEP-121G

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 C4H6O2 (2-Propenoic acid, methyl ester)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₆O₂ (2-Propenoic acid, methyl ester)