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	hartrees
Energy at 0K	-305.169538
Energy at 298.15K	-305.175888
HF Energy	-304.577929
Nuclear repulsion energy	220.688074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3161	11.81
2	A	3218	3106	3.22
3	A	3216	3104	18.65
4	A	3174	3064	30.80
5	A	3153	3044	6.97
6	A	3058	2951	34.65
7	A	1656	1599	26.55
8	A	1633	1577	112.90
9	A	1533	1480	7.93
10	A	1521	1468	8.99
11	A	1486	1434	24.91
12	A	1466	1415	42.84
13	A	1329	1283	19.88
14	A	1194	1153	32.61
15	A	1170	1130	432.27
16	A	1156	1116	0.82
17	A	1091	1053	9.32
18	A	1007	972	48.67
19	A	953	920	18.92
20	A	903	872	31.27
21	A	804	776	19.45
22	A	773	746	26.77
23	A	642	620	7.17
24	A	504	487	0.23
25	A	456	441	0.92
26	A	317	306	16.74
27	A	209	201	5.35
28	A	188	181	11.21
29	A	123	119	0.39
30	A	86	83	3.10

Atom	x (Å)	y (Å)	z (Å)
H1	3.084	-0.947	-0.010
H2	2.511	0.516	0.905
H3	2.504	0.530	-0.897
C4	2.391	-0.098	-0.000
O5	1.037	-0.744	0.000
O6	0.055	1.386	0.000
C7	-0.065	0.130	-0.000
H8	-1.244	-1.744	0.001
C9	-1.345	-0.657	0.000
H10	-3.492	-0.605	-0.000
H11	-2.628	1.059	-0.001
C12	-2.561	-0.033	-0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8177	1.8178	1.0960	2.0569	3.8230	3.3282	4.4009	4.4387	6.5846	6.0538	5.7188
H2	1.8177		1.8020	1.1002	2.1392	2.7579	2.7573	4.4749	4.1308	6.1731	5.2462	5.1815
H3	1.8178	1.8020		1.1002	2.1395	2.7447	2.7500	4.4748	4.1266	6.1676	5.2362	5.1746
C4	1.0960	1.1002	1.1002		1.5001	2.7672	2.4666	3.9906	3.7779	5.9047	5.1505	4.9528
O5	2.0569	2.1392	2.1395	1.5001		2.3450	1.4066	2.4910	2.3839	4.5310	4.0843	3.6680
O6	3.8230	2.7579	2.7447	2.7672	2.3450		1.2613	3.3892	2.4768	4.0676	2.7030	2.9765
C7	3.3282	2.7573	2.7500	2.4666	1.4066	1.2613		2.2147	1.5030	3.5048	2.7259	2.5017
H8	4.4009	4.4749	4.4748	3.9906	2.4910	3.3892	2.2147		1.0920	2.5200	3.1261	2.1597
C9	4.4387	4.1308	4.1266	3.7779	2.3839	2.4768	1.5030	1.0920		2.1472	2.1422	1.3669
H10	6.5846	6.1731	6.1676	5.9047	4.5310	4.0676	3.5048	2.5200	2.1472		1.8747	1.0923
H11	6.0538	5.2462	5.2362	5.1505	4.0843	2.7030	2.7259	3.1261	2.1422	1.8747		1.0937
C12	5.7188	5.1815	5.1746	4.9528	3.6680	2.9765	2.5017	2.1597	1.3669	1.0923	1.0937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.718	H1	C4	H3	111.732
H1	C4	O5	103.714	H2	C4	H3	109.964
H2	C4	O5	109.758	H3	C4	O5	109.782
C4	O5	C7	116.084	O5	C7	O6	122.945
O5	C7	C9	109.992	O6	C7	C9	127.063
C7	C9	H8	116.278	C7	C9	C12	121.240
H8	C9	C12	122.482	C9	C12	H10	121.245
C9	C12	H11	120.658	H10	C12	H11	118.098

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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