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	hartrees
Energy at 0K	-57.635866
Energy at 298.15K	-57.642478
HF Energy	-56.818048
Nuclear repulsion energy	121.847542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3142	6.86
2	A	3251	3087	4.45
3	A	3246	3081	22.52
4	A	3221	3058	27.44
5	A	3199	3037	6.87
6	A	3110	2953	40.64
7	A	1792	1702	193.70
8	A	1701	1615	18.78
9	A	1518	1441	9.85
10	A	1512	1435	6.84
11	A	1493	1418	15.57
12	A	1451	1377	79.67
13	A	1335	1267	114.49
14	A	1243	1180	325.89
15	A	1214	1153	33.54
16	A	1189	1129	0.46
17	A	1077	1023	6.80
18	A	1032	980	47.86
19	A	1032	979	19.70
20	A	926	879	31.61
21	A	867	823	14.71
22	A	819	777	26.93
23	A	662	628	5.22
24	A	534	507	0.08
25	A	469	446	1.33
26	A	344	326	15.48
27	A	223	212	4.07
28	A	202	192	5.41
29	A	167	159	1.73
30	A	94	90	3.06

Atom	x (Å)	y (Å)	z (Å)
H1	-3.028	-0.893	0.002
H2	-2.391	0.548	-0.898
H3	-2.390	0.549	0.900
C4	-2.290	-0.079	0.001
O5	-0.999	-0.749	0.001
O6	-0.045	1.340	-0.002
C7	0.065	0.110	-0.001
H8	1.291	-1.758	-0.006
C9	1.354	-0.666	-0.002
H10	3.499	-0.546	0.002
H11	2.570	1.095	0.006
C12	2.549	0.001	0.002

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8147	1.8146	1.0984	2.0338	3.7260	3.2512	4.4041	4.3871	6.5353	5.9404	5.6480
H2	1.8147		1.7984	1.1012	2.1047	2.6338	2.6516	4.4351	4.0375	6.0578	5.0730	5.0517
H3	1.8146	1.7984		1.1012	2.1048	2.6343	2.6520	4.4377	4.0381	6.0566	5.0698	5.0502
C4	1.0984	1.1012	1.1012		1.4548	2.6561	2.3628	3.9550	3.6908	5.8075	5.0003	4.8401
O5	2.0338	2.1047	2.1048	1.4548		2.2964	1.3674	2.5020	2.3540	4.5020	4.0174	3.6265
O6	3.7260	2.6338	2.6343	2.6561	2.2964		1.2347	3.3730	2.4448	4.0137	2.6265	2.9191
C7	3.2512	2.6516	2.6520	2.3628	1.3674	1.2347		2.2339	1.5040	3.4955	2.6919	2.4866
H8	4.4041	4.4351	4.4377	3.9550	2.5020	3.3730	2.2339		1.0937	2.5183	3.1261	2.1623
C9	4.3871	4.0375	4.0381	3.6908	2.3540	2.4448	1.5040	1.0937		2.1482	2.1400	1.3689
H10	6.5353	6.0578	6.0566	5.8075	4.5020	4.0137	3.4955	2.5183	2.1482		1.8850	1.0954
H11	5.9404	5.0730	5.0698	5.0003	4.0174	2.6265	2.6919	3.1261	2.1400	1.8850		1.0942
C12	5.6480	5.0517	5.0502	4.8401	3.6265	2.9191	2.4866	2.1623	1.3689	1.0954	1.0942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.176	H1	C4	H3	111.173
H1	C4	O5	104.739	H2	C4	H3	109.486
H2	C4	O5	110.093	H3	C4	O5	110.095
C4	O5	C7	113.658	O5	C7	O6	123.816
O5	C7	C9	110.040	O6	C7	C9	126.144
C7	C9	H8	117.755	C7	C9	C12	119.819
H8	C9	C12	122.427	C9	C12	H10	120.923
C9	C12	H11	120.242	H10	C12	H11	118.835

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

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 C4H6O2 (2-Propenoic acid, methyl ester)

using model chemistry: MP2/CEP-31G*

States and conformations

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