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	hartrees
Energy at 0K	-56.687835
Energy at 298.15K	-56.694670
Nuclear repulsion energy	122.380872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3409	3111	9.34
2	A	3376	3081	2.90
3	A	3336	3044	26.34
4	A	3303	3014	36.28
5	A	3295	3007	6.43
6	A	3195	2916	41.80
7	A	1815	1656	203.76
8	A	1803	1645	115.93
9	A	1632	1489	8.82
10	A	1622	1480	9.55
11	A	1599	1459	35.75
12	A	1561	1424	99.95
13	A	1436	1310	85.64
14	A	1349	1231	520.23
15	A	1304	1190	17.76
16	A	1272	1160	3.23
17	A	1178	1075	16.91
18	A	1167	1065	33.01
19	A	1112	1015	52.34
20	A	1080	986	30.01
21	A	906	827	11.07
22	A	896	818	55.44
23	A	708	646	12.61
24	A	566	516	1.22
25	A	494	451	1.50
26	A	344	314	21.17
27	A	224	205	8.65
28	A	201	184	9.32
29	A	129	118	0.29
30	A	102	93	6.17

Atom	x (Å)	y (Å)	z (Å)
H1	3.007	-0.941	-0.001
H2	2.463	0.505	0.884
H3	2.462	0.506	-0.884
C4	2.328	-0.103	-0.000
O5	0.999	-0.694	0.000
O6	0.009	1.344	0.000
C7	-0.088	0.119	0.000
H8	-1.256	-1.722	0.000
C9	-1.358	-0.654	0.000
H10	-3.463	-0.595	-0.000
H11	-2.610	1.038	-0.000
C12	-2.544	-0.036	-0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7803	1.7803	1.0782	2.0231	3.7696	3.2708	4.3338	4.3743	6.4785	5.9556	5.6240
H2	1.7803		1.7684	1.0819	2.0888	2.7408	2.7271	4.4242	4.0900	6.0916	5.1778	5.1134
H3	1.7803	1.7684		1.0819	2.0888	2.7393	2.7263	4.4239	4.0893	6.0907	5.1765	5.1124
C4	1.0782	1.0819	1.0819		1.4544	2.7338	2.4256	3.9325	3.7269	5.8113	5.0685	4.8723
O5	2.0231	2.0888	2.0888	1.4544		2.2659	1.3569	2.4782	2.3572	4.4624	4.0032	3.6033
O6	3.7696	2.7408	2.7393	2.7338	2.2659		1.2288	3.3167	2.4211	3.9763	2.6370	2.9019
C7	3.2708	2.7271	2.7263	2.4256	1.3569	1.2288		2.1807	1.4874	3.4498	2.6850	2.4613
H8	4.3338	4.4242	4.4239	3.9325	2.4782	3.3167	2.1807		1.0726	2.4773	3.0742	2.1215
C9	4.3743	4.0900	4.0893	3.7269	2.3572	2.4211	1.4874	1.0726		2.1052	2.1051	1.3373
H10	6.4785	6.0916	6.0907	5.8113	4.4624	3.9763	3.4498	2.4773	2.1052		1.8422	1.0755
H11	5.9556	5.1778	5.1765	5.0685	4.0032	2.6370	2.6850	3.0742	2.1051	1.8422		1.0759
C12	5.6240	5.1134	5.1124	4.8723	3.6033	2.9019	2.4613	2.1215	1.3373	1.0755	1.0759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.011	H1	C4	H3	111.014
H1	C4	O5	105.065	H2	C4	H3	109.628
H2	C4	O5	110.021	H3	C4	O5	110.023
C4	O5	C7	119.226	O5	C7	O6	122.323
O5	C7	C9	111.858	O6	C7	C9	125.819
C7	C9	H8	115.871	C7	C9	C12	121.139
H8	C9	C12	122.990	C9	C12	H10	121.125
C9	C12	H11	121.080	H10	C12	H11	117.795

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	0.175
2	H	0.172
3	H	0.172
4	C	-0.201
5	O	-0.382
6	O	-0.321
7	C	0.195
8	H	0.213
9	C	-0.009
10	H	0.157
11	H	0.199
12	C	-0.371

	x	y	z	Total
	-0.059	-1.765	-0.001	1.766
CHELPG
AIM
ESP

	x	y	z
x	10.027	-0.693	0.000
y	-0.693	6.783	0.000
z	0.000	0.000	4.284

<r²>	146.619
(<r²>)^1/2	12.109

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)