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	hartrees
Energy at 0K	-306.331130
Energy at 298.15K	-306.337734
HF Energy	-306.331130
Nuclear repulsion energy	228.329658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3110	1.52
2	A	3239	3067	1.94
3	A	3217	3047	14.48
4	A	3189	3020	1.95
5	A	3188	3019	18.01
6	A	3106	2942	24.93
7	A	1878	1778	190.46
8	A	1748	1655	32.50
9	A	1527	1446	7.44
10	A	1512	1432	6.54
11	A	1501	1421	43.75
12	A	1456	1378	88.47
13	A	1364	1292	205.90
14	A	1275	1208	259.53
15	A	1226	1161	10.62
16	A	1191	1128	1.46
17	A	1094	1036	16.04
18	A	1087	1029	0.53
19	A	1035	980	33.76
20	A	1015	962	14.66
21	A	897	850	10.05
22	A	833	789	32.23
23	A	682	646	6.33
24	A	530	502	0.17
25	A	482	457	1.31
26	A	358	339	17.44
27	A	230	217	3.85
28	A	200	189	4.71
29	A	112	106	0.85
30	A	89	84	2.03

Atom	x (Å)	y (Å)	z (Å)
H1	3.048	-0.735	0.103
H2	1.899	-0.440	1.428
H3	2.374	0.894	0.343
C4	2.164	-0.172	0.402
O5	1.097	-0.526	-0.483
O6	-0.055	1.359	-0.115
C7	-0.045	0.139	-0.206
H8	-1.113	-1.700	-0.122
C9	-1.198	-0.659	-0.038
H10	-3.230	-0.732	0.370
H11	-2.488	0.921	0.314
C12	-2.392	-0.121	0.234

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7792	1.7801	1.0906	2.0486	3.7500	3.2292	4.2775	4.2496	6.2843	5.7829	5.4768
H2	1.7792		1.7847	1.0932	2.0749	3.0717	2.6048	3.6140	3.4337	5.2452	4.7266	4.4655
H3	1.7801	1.7847		1.0885	2.0807	2.5147	2.5924	4.3708	3.9136	5.8353	4.8623	4.8740
C4	1.0906	1.0932	1.0885		1.4310	2.7447	2.3118	3.6533	3.4255	5.4231	4.7795	4.5594
O5	2.0486	2.0749	2.0807	1.4310		2.2387	1.3497	2.5283	2.3414	4.4150	3.9470	3.5848
O6	3.7500	3.0717	2.5147	2.7447	2.2387		1.2227	3.2365	2.3201	3.8326	2.5096	2.7880
C7	3.2292	2.6048	2.5924	2.3118	1.3497	1.2227		2.1288	1.4127	3.3524	2.6177	2.4026
H8	4.2775	3.6140	4.3708	3.6533	2.5283	3.2365	2.1288		1.0481	2.3795	2.9915	2.0636
C9	4.2496	3.4337	3.9136	3.4255	2.3414	2.3201	1.4127	1.0481		2.0739	2.0695	1.3378
H10	6.2843	5.2452	5.8353	5.4231	4.4150	3.8326	3.3524	2.3795	2.0739		1.8123	1.0463
H11	5.7829	4.7266	4.8623	4.7795	3.9470	2.5096	2.6177	2.9915	2.0695	1.8123		1.0485
C12	5.4768	4.4655	4.8740	4.5594	3.5848	2.7880	2.4026	2.0636	1.3378	1.0463	1.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	109.116	H1	C4	H3	109.552
H1	C4	O5	107.899	H2	C4	H3	109.780
H2	C4	O5	109.842	H3	C4	O5	110.614
C4	O5	C7	112.451	O5	C7	O6	120.905
O5	C7	C9	115.883	O6	C7	C9	123.212
C7	C9	H8	119.040	C7	C9	C12	121.711
H8	C9	C12	119.248	C9	C12	H10	120.405
C9	C12	H11	119.792	H10	C12	H11	119.803

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	H	0.181
2	H	0.184
3	H	0.184
4	C	-0.243
5	O	-0.494
6	O	-0.497
7	C	0.623
8	H	0.187
9	C	-0.165
10	H	0.180
11	H	0.204
12	C	-0.343

	x	y	z	Total
	0.059	-1.435	-0.000	1.437
CHELPG
AIM
ESP

	x	y	z
x	10.017	-0.564	-0.000
y	-0.564	6.679	0.000
z	-0.000	0.000	3.790

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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