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	hartrees
Energy at 0K	-56.838688
Energy at 298.15K	-56.845597
Nuclear repulsion energy	123.967815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3424	3093	7.17
2	A	3379	3053	5.41
3	A	3336	3014	36.82
4	A	3323	3002	10.58
5	A	3319	2999	40.48
6	A	3230	2918	50.24
7	A	1942	1754	315.39
8	A	1821	1645	50.70
9	A	1632	1474	7.74
10	A	1625	1468	4.84
11	A	1614	1458	20.11
12	A	1554	1404	130.72
13	A	1439	1300	209.21
14	A	1363	1231	387.28
15	A	1324	1196	72.30
16	A	1290	1165	4.06
17	A	1163	1051	3.44
18	A	1130	1021	47.17
19	A	1122	1013	26.06
20	A	1106	999	23.74
21	A	943	852	11.99
22	A	909	821	48.37
23	A	718	648	9.27
24	A	570	515	0.05
25	A	499	450	2.52
26	A	365	330	18.21
27	A	236	213	5.49
28	A	205	185	4.62
29	A	163	147	1.16
30	A	95	86	3.79

Atom	x (Å)	y (Å)	z (Å)
H1	-2.984	-0.911	-0.003
H2	-2.402	0.521	-0.882
H3	-2.404	0.516	0.885
C4	-2.275	-0.094	-0.000
O5	-0.986	-0.704	0.001
O6	-0.031	1.311	-0.000
C7	0.063	0.118	-0.000
H8	1.275	-1.722	-0.001
C9	1.350	-0.648	-0.000
H10	3.446	-0.556	0.000
H11	2.558	1.062	0.001
C12	2.515	-0.014	0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7774	1.7774	1.0810	2.0091	3.6953	3.2155	4.3357	4.3420	6.4394	5.8829	5.5715
H2	1.7774		1.7671	1.0826	2.0696	2.6501	2.6481	4.3960	4.0275	6.0107	5.0670	5.0236
H3	1.7774	1.7671		1.0827	2.0692	2.6551	2.6509	4.3966	4.0293	6.0128	5.0705	5.0262
C4	1.0810	1.0826	1.0827		1.4262	2.6478	2.3473	3.9055	3.6673	5.7393	4.9699	4.7907
O5	2.0091	2.0696	2.0692	1.4262		2.2292	1.3318	2.4795	2.3364	4.4337	3.9594	3.5678
O6	3.6953	2.6501	2.6551	2.6478	2.2292		1.1964	3.3020	2.3972	3.9460	2.6012	2.8698
C7	3.2155	2.6481	2.6509	2.3473	1.3318	1.1964		2.2036	1.4985	3.4496	2.6684	2.4559
H8	4.3357	4.3960	4.3966	3.9055	2.4795	3.3020	2.2036		1.0759	2.4638	3.0654	2.1105
C9	4.3420	4.0275	4.0293	3.6673	2.3364	2.3972	1.4985	1.0759		2.0976	2.0943	1.3265
H10	6.4394	6.0107	6.0128	5.7393	4.4337	3.9460	3.4496	2.4638	2.0976		1.8453	1.0771
H11	5.8829	5.0670	5.0705	4.9699	3.9594	2.6012	2.6684	3.0654	2.0943	1.8453		1.0767
C12	5.5715	5.0236	5.0262	4.7907	3.5678	2.8698	2.4559	2.1105	1.3265	1.0771	1.0767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.469	H1	C4	H3	110.458
H1	C4	O5	105.685	H2	C4	H3	109.393
H2	C4	O5	110.411	H3	C4	O5	110.382
C4	O5	C7	116.617	O5	C7	O6	123.615
O5	C7	C9	111.134	O6	C7	C9	125.251
C7	C9	H8	116.776	C7	C9	C12	120.640
H8	C9	C12	122.585	C9	C12	H10	121.191
C9	C12	H11	120.904	H10	C12	H11	117.905

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

using model chemistry: HF/CEP-121G*

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	0.183
2	H	0.178
3	H	0.178
4	C	-0.269
5	O	-0.319
6	O	-0.430
7	C	0.412
8	H	0.239
9	C	-0.144
10	H	0.196
11	H	0.232
12	C	-0.457

	x	y	z	Total
	0.006	-1.681	-0.001	1.681
CHELPG
AIM
ESP

	x	y	z
x	9.893	0.696	0.000
y	0.696	6.779	0.001
z	0.000	0.001	4.572

<r²>	142.998
(<r²>)^1/2	11.958

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

using model chemistry: HF/CEP-121G*

States and conformations

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