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	hartrees
Energy at 0K	-306.310613
Energy at 298.15K	-306.302978
HF Energy	-306.492502
Nuclear repulsion energy	227.673952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3252	3138	2.54
2	A	3198	3087	3.91
3	A	3159	3048	18.48
4	A	3158	3048	2.01
5	A	3124	3015	19.21
6	A	3051	2944	28.60
7	A	1804	1741	161.97
8	A	1698	1639	26.50
9	A	1497	1445	5.54
10	A	1481	1430	6.16
11	A	1474	1423	23.64
12	A	1434	1384	61.78
13	A	1329	1283	68.99
14	A	1229	1186	325.03
15	A	1207	1164	67.95
16	A	1180	1138	1.02
17	A	1078	1040	1.94
18	A	1039	1003	21.00
19	A	1034	998	15.47
20	A	1006	971	13.95
21	A	869	838	8.52
22	A	837	808	23.80
23	A	667	643	5.52
24	A	536	517	0.22
25	A	475	458	1.53
26	A	338	327	16.08
27	A	220	212	3.35
28	A	201	194	3.50
29	A	124	120	0.16
30	A	100	97	2.71

Atom	x (Å)	y (Å)	z (Å)
H1	-3.027	-0.900	-0.002
H2	-2.418	0.537	-0.886
H3	-2.420	0.534	0.889
C4	-2.297	-0.091	-0.000
O5	-1.013	-0.723	0.000
O6	-0.063	1.324	-0.000
C7	0.043	0.120	0.000
H8	1.232	-1.724	-0.000
C9	1.315	-0.643	-0.000
H10	3.427	-0.554	-0.000
H11	2.524	1.070	0.000
C12	2.487	-0.014	-0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7942	1.7941	1.0900	2.0224	3.7059	3.2352	4.3384	4.3497	6.4637	5.8902	5.5851
H2	1.7942		1.7750	1.0931	2.0854	2.6362	2.6483	4.3841	4.0137	6.0114	5.0483	5.0145
H3	1.7941	1.7750		1.0931	2.0854	2.6397	2.6503	4.3843	4.0149	6.0129	5.0509	5.0164
C4	1.0900	1.0931	1.0931		1.4315	2.6443	2.3492	3.8886	3.6537	5.7427	4.9583	4.7845
O5	2.0224	2.0854	2.0854	1.4315		2.2566	1.3511	2.4578	2.3288	4.4429	3.9650	3.5708
O6	3.7059	2.6362	2.6397	2.6443	2.2566		1.2082	3.3116	2.4013	3.9629	2.5987	2.8794
C7	3.2352	2.6483	2.6503	2.3492	1.3511	1.2082		2.1946	1.4834	3.4507	2.6564	2.4479
H8	4.3384	4.3841	4.3843	3.8886	2.4578	3.3116	2.1946		1.0843	2.4875	3.0786	2.1212
C9	4.3497	4.0137	4.0149	3.6537	2.3288	2.4013	1.4834	1.0843		2.1141	2.0969	1.3303
H10	6.4637	6.0114	6.0129	5.7427	4.4429	3.9629	3.4507	2.4875	2.1141		1.8587	1.0841
H11	5.8902	5.0483	5.0509	4.9583	3.9650	2.5987	2.6564	3.0786	2.0969	1.8587		1.0850
C12	5.5851	5.0145	5.0164	4.7845	3.5708	2.8794	2.4479	2.1212	1.3303	1.0841	1.0850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.298	H1	C4	H3	110.284
H1	C4	O5	106.103	H2	C4	H3	108.543
H2	C4	O5	110.805	H3	C4	O5	110.807
C4	O5	C7	115.841	O5	C7	O6	124.164
O5	C7	C9	110.405	O6	C7	C9	125.431
C7	C9	H8	116.698	C7	C9	C12	120.797
H8	C9	C12	122.505	C9	C12	H10	121.854
C9	C12	H11	120.407	H10	C12	H11	117.739

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

using model chemistry: G4

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	0.132
2	H	0.141
3	H	0.141
4	C	-0.239
5	O	-0.236
6	O	-0.370
7	C	0.437
8	H	0.113
9	C	-0.114
10	H	0.129
11	H	0.144
12	C	-0.279

	x	y	z	Total
	-0.086	-1.508	-0.000	1.511
CHELPG
AIM
ESP

<r²>	176.815
(<r²>)^1/2	13.297

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

using model chemistry: G4

States and conformations

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