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	hartrees
Energy at 0K	-306.391540
Energy at 298.15K	-306.397968
Nuclear repulsion energy	225.458914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3154	4.04
2	A	3114	3097	5.66
3	A	3081	3065	9.63
4	A	3081	3064	13.10
5	A	3042	3026	21.24
6	A	2974	2958	30.10
7	A	1720	1711	134.59
8	A	1632	1623	21.39
9	A	1456	1448	6.08
10	A	1440	1432	5.22
11	A	1427	1419	11.51
12	A	1397	1389	43.32
13	A	1289	1282	25.87
14	A	1172	1165	38.59
15	A	1146	1139	341.62
16	A	1139	1132	0.78
17	A	1050	1044	1.45
18	A	1008	1003	18.02
19	A	973	968	20.40
20	A	959	954	13.57
21	A	828	823	8.55
22	A	800	795	18.49
23	A	641	637	4.52
24	A	518	515	0.21
25	A	460	457	1.42
26	A	326	324	14.70
27	A	212	211	2.97
28	A	199	198	3.20
29	A	109	108	0.05
30	A	100	99	2.66

Atom	x (Å)	y (Å)	z (Å)
H1	-3.051	-0.909	-0.003
H2	-2.438	0.540	-0.892
H3	-2.440	0.535	0.895
C4	-2.319	-0.093	-0.000
O5	-1.020	-0.736	0.000
O6	-0.065	1.343	-0.000
C7	0.047	0.127	0.000
H8	1.233	-1.731	-0.000
C9	1.322	-0.644	-0.000
H10	3.450	-0.573	-0.000
H11	2.559	1.070	0.000
C12	2.510	-0.021	-0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8074	1.8073	1.0967	2.0386	3.7406	3.2672	4.3622	4.3815	6.5103	5.9487	5.6317
H2	1.8074		1.7869	1.1001	2.1061	2.6598	2.6726	4.4079	4.0419	6.0588	5.1034	5.0590
H3	1.8073	1.7869		1.1001	2.1061	2.6638	2.6748	4.4081	4.0432	6.0605	5.1064	5.0611
C4	1.0967	1.1001	1.1001		1.4497	2.6727	2.3764	3.9115	3.6826	5.7893	5.0143	4.8295
O5	2.0386	2.1061	2.1061	1.4497		2.2883	1.3728	2.4627	2.3440	4.4733	4.0086	3.6017
O6	3.7406	2.6598	2.6638	2.6727	2.2883		1.2209	3.3370	2.4230	4.0034	2.6375	2.9135
C7	3.2672	2.6726	2.6748	2.3764	1.3728	1.2209		2.2046	1.4901	3.4745	2.6825	2.4672
H8	4.3622	4.4079	4.4081	3.9115	2.4627	3.3370	2.2046		1.0913	2.5019	3.0991	2.1348
C9	4.3815	4.0419	4.0432	3.6826	2.3440	2.4230	1.4901	1.0913		2.1293	2.1131	1.3412
H10	6.5103	6.0588	6.0605	5.7893	4.4733	4.0034	3.4745	2.5019	2.1293		1.8693	1.0906
H11	5.9487	5.1034	5.1064	5.0143	4.0086	2.6375	2.6825	3.0991	2.1131	1.8693		1.0916
C12	5.6317	5.0590	5.0611	4.8295	3.6017	2.9135	2.4672	2.1348	1.3412	1.0906	1.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.720	H1	C4	H3	110.709
H1	C4	O5	105.531	H2	C4	H3	108.613
H2	C4	O5	110.633	H3	C4	O5	110.629
C4	O5	C7	114.661	O5	C7	O6	123.729
O5	C7	C9	109.852	O6	C7	C9	126.419
C7	C9	H8	116.462	C7	C9	C12	121.159
H8	C9	C12	122.379	C9	C12	H10	121.895
C9	C12	H11	120.235	H10	C12	H11	117.870

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

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	H	0.117
2	H	0.129
3	H	0.128
4	C	-0.223
5	O	-0.187
6	O	-0.336
7	C	0.385
8	H	0.089
9	C	-0.082
10	H	0.110
11	H	0.121
12	C	-0.250

	x	y	z	Total
	-0.132	-1.461	-0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	11.733	0.401	-0.000
y	0.401	7.151	0.000
z	-0.000	0.000	4.435

<r²>	179.836
(<r²>)^1/2	13.410

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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