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	hartrees
Energy at 0K	-56.823530
Energy at 298.15K	-56.830475
Nuclear repulsion energy	123.599795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3455	3102	10.82
2	A	3415	3067	7.70
3	A	3367	3023	49.66
4	A	3357	3015	17.05
5	A	3352	3010	49.70
6	A	3262	2930	59.81
7	A	1969	1768	335.34
8	A	1855	1666	56.52
9	A	1627	1461	9.73
10	A	1625	1459	4.76
11	A	1614	1450	22.38
12	A	1555	1396	141.38
13	A	1449	1301	248.63
14	A	1368	1229	354.07
15	A	1322	1187	40.76
16	A	1290	1158	3.59
17	A	1159	1041	6.18
18	A	1136	1020	54.22
19	A	1128	1013	27.92
20	A	1122	1007	17.50
21	A	948	851	12.10
22	A	923	829	46.91
23	A	719	645	10.10
24	A	581	521	0.12
25	A	499	448	2.52
26	A	367	329	17.95
27	A	237	213	5.42
28	A	211	189	3.67
29	A	175	157	2.11
30	A	103	92	4.58

Atom	x (Å)	y (Å)	z (Å)
H1	-2.993	-0.905	-0.002
H2	-2.399	0.528	-0.885
H3	-2.402	0.524	0.889
C4	-2.277	-0.090	0.001
O5	-0.991	-0.707	0.001
O6	-0.033	1.311	-0.002
C7	0.060	0.112	-0.001
H8	1.283	-1.735	-0.006
C9	1.350	-0.658	-0.002
H10	3.462	-0.546	0.001
H11	2.560	1.074	0.006
C12	2.525	-0.005	0.002

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7848	1.7847	1.0848	2.0118	3.6973	3.2179	4.3559	4.3497	6.4649	5.8946	5.5905
H2	1.7848		1.7739	1.0869	2.0726	2.6442	2.6464	4.4107	4.0302	6.0244	5.0677	5.0316
H3	1.7847	1.7739		1.0869	2.0723	2.6500	2.6499	4.4137	4.0330	6.0262	5.0692	5.0335
C4	1.0848	1.0869	1.0869		1.4265	2.6451	2.3457	3.9216	3.6709	5.7569	4.9745	4.8023
O5	2.0118	2.0726	2.0723	1.4265		2.2338	1.3326	2.4954	2.3411	4.4558	3.9723	3.5850
O6	3.6973	2.6442	2.6500	2.6451	2.2338		1.2023	3.3178	2.4060	3.9575	2.6034	2.8764
C7	3.2179	2.6464	2.6499	2.3457	1.3326	1.2023		2.2151	1.5021	3.4649	2.6782	2.4674
H8	4.3559	4.4107	4.4137	3.9216	2.4954	3.3178	2.2151		1.0787	2.4822	3.0854	2.1291
C9	4.3497	4.0302	4.0330	3.6709	2.3411	2.4060	1.5021	1.0787		2.1152	2.1130	1.3442
H10	6.4649	6.0244	6.0262	5.7569	4.4558	3.9575	3.4649	2.4822	2.1152		1.8543	1.0819
H11	5.8946	5.0677	5.0692	4.9745	3.9723	2.6034	2.6782	3.0854	2.1130	1.8543		1.0800
C12	5.5905	5.0316	5.0335	4.8023	3.5850	2.8764	2.4674	2.1291	1.3442	1.0819	1.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.534	H1	C4	H3	110.522
H1	C4	O5	105.662	H2	C4	H3	109.372
H2	C4	O5	110.366	H3	C4	O5	110.341
C4	O5	C7	116.418	O5	C7	O6	123.495
O5	C7	C9	111.215	O6	C7	C9	125.290
C7	C9	H8	117.305	C7	C9	C12	120.091
H8	C9	C12	122.603	C9	C12	H10	120.968
C9	C12	H11	120.910	H10	C12	H11	118.122

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

using model chemistry: HF/CEP-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	0.159
3	H	0.158
4	C	-0.207
5	O	-0.209
6	O	-0.239
7	C	-0.128
8	H	0.293
9	C	0.090
10	H	0.191
11	H	0.246
12	C	-0.535

	x	y	z	Total
	0.037	-1.688	0.001	1.689
CHELPG
AIM
ESP

	x	y	z
x	9.607	0.764	0.005
y	0.764	6.276	0.004
z	0.005	0.004	4.184

<r²>	143.528
(<r²>)^1/2	11.980

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

using model chemistry: HF/CEP-31G*

States and conformations

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