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	hartrees
Energy at 0K	-305.140998
Energy at 298.15K	-305.147441
HF Energy	-304.531304
Nuclear repulsion energy	222.526705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3138	7.31
2	A	3232	3092	13.05
3	A	3225	3086	2.15
4	A	3190	3052	21.48
5	A	3179	3042	4.02
6	A	3095	2961	21.72
7	A	1692	1618	26.19
8	A	1680	1607	88.61
9	A	1567	1499	6.51
10	A	1554	1487	6.71
11	A	1511	1446	23.63
12	A	1492	1428	33.31
13	A	1355	1297	26.35
14	A	1214	1161	422.50
15	A	1205	1153	22.73
16	A	1178	1127	0.97
17	A	1116	1068	5.92
18	A	1020	976	44.89
19	A	980	938	19.45
20	A	969	928	24.14
21	A	830	795	13.29
22	A	778	744	27.20
23	A	664	635	6.83
24	A	503	481	0.97
25	A	471	451	0.96
26	A	332	317	17.32
27	A	217	208	4.90
28	A	185	177	10.64
29	A	114	109	0.09
30	A	85	81	2.34

Atom	x (Å)	y (Å)	z (Å)
H1	3.071	-0.919	-0.002
H2	2.479	0.533	0.895
H3	2.477	0.535	-0.894
C4	2.367	-0.087	-0.000
O5	1.032	-0.746	0.000
O6	0.057	1.366	0.000
C7	-0.064	0.118	0.000
H8	-1.251	-1.737	0.001
C9	-1.338	-0.652	0.000
H10	-3.471	-0.576	-0.000
H11	-2.594	1.066	-0.001
C12	-2.535	-0.023	-0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8064	1.8064	1.0905	2.0467	3.7826	3.3019	4.3988	4.4172	6.5514	6.0027	5.6773
H2	1.8064		1.7898	1.0946	2.1284	2.7132	2.7272	4.4569	4.0955	6.1185	5.1788	5.1233
H3	1.8064	1.7898		1.0945	2.1284	2.7112	2.7260	4.4568	4.0947	6.1174	5.1768	5.1219
C4	1.0905	1.0946	1.0945		1.4889	2.7287	2.4391	3.9764	3.7477	5.8586	5.0928	4.9021
O5	2.0467	2.1284	2.1284	1.4889		2.3261	1.3951	2.4887	2.3717	4.5063	4.0531	3.6393
O6	3.7826	2.7132	2.7112	2.7287	2.3261		1.2539	3.3676	2.4533	4.0276	2.6678	2.9404
C7	3.3019	2.7272	2.7260	2.4391	1.3951	1.2539		2.2026	1.4889	3.4777	2.7018	2.4752
H8	4.3988	4.4569	4.4568	3.9764	2.4887	3.3676	2.2026		1.0887	2.5055	3.1080	2.1421
C9	4.4172	4.0955	4.0947	3.7477	2.3717	2.4533	1.4889	1.0887		2.1346	2.1278	1.3523
H10	6.5514	6.1185	6.1174	5.8586	4.5063	4.0276	3.4777	2.5055	2.1346		1.8618	1.0880
H11	6.0027	5.1788	5.1768	5.0928	4.0531	2.6678	2.7018	3.1080	2.1278	1.8618		1.0898
C12	5.6773	5.1233	5.1219	4.9021	3.6393	2.9404	2.4752	2.1421	1.3523	1.0880	1.0898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.525	H1	C4	H3	111.530
H1	C4	O5	103.953	H2	C4	H3	109.689
H2	C4	O5	110.008	H3	C4	O5	110.009
C4	O5	C7	115.461	O5	C7	O6	122.739
O5	C7	C9	110.598	O6	C7	C9	126.663
C7	C9	H8	116.553	C7	C9	C12	121.115
H8	C9	C12	122.332	C9	C12	H10	121.657
C9	C12	H11	120.845	H10	C12	H11	117.498

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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