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	hartrees
Energy at 0K	-57.203525
Energy at 298.15K	-57.209889
HF Energy	-56.665312
Nuclear repulsion energy	118.983938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3160	21.46
2	A	3225	3116	30.68
3	A	3214	3106	6.21
4	A	3187	3080	43.77
5	A	3155	3049	12.72
6	A	3067	2963	45.48
7	A	1659	1603	25.97
8	A	1625	1570	106.43
9	A	1522	1471	7.87
10	A	1508	1457	8.03
11	A	1479	1429	18.51
12	A	1456	1407	47.98
13	A	1326	1281	24.16
14	A	1191	1151	88.87
15	A	1178	1138	364.23
16	A	1155	1116	0.73
17	A	1083	1046	10.39
18	A	1020	986	50.77
19	A	957	925	22.57
20	A	913	882	35.80
21	A	807	779	18.85
22	A	776	750	27.53
23	A	638	616	7.51
24	A	504	487	0.25
25	A	453	438	0.99
26	A	318	307	16.03
27	A	208	201	5.30
28	A	186	179	11.39
29	A	128	123	0.81
30	A	89	86	3.09

Atom	x (Å)	y (Å)	z (Å)
H1	-3.104	-0.942	0.000
H2	-2.511	0.532	-0.905
H3	-2.511	0.531	0.906
C4	-2.401	-0.094	0.000
O5	-1.049	-0.753	0.000
O6	-0.064	1.392	-0.000
C7	0.062	0.125	-0.000
H8	1.261	-1.761	-0.002
C9	1.356	-0.667	-0.001
H10	3.522	-0.599	0.000
H11	2.646	1.075	0.002
C12	2.584	-0.023	0.001

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.8280	1.8280	1.1015	2.0633	3.8331	3.3410	4.4410	4.4682	6.6345	6.0933	5.7621
H2	1.8280		1.8108	1.1057	2.1463	2.7478	2.7579	4.5056	4.1482	6.2045	5.2644	5.2052
H3	1.8280	1.8108		1.1057	2.1463	2.7487	2.7584	4.5063	4.1485	6.2045	5.2640	5.2051
C4	1.1015	1.1057	1.1057		1.5040	2.7700	2.4730	4.0237	3.8003	5.9445	5.1806	4.9861
O5	2.0633	2.1463	2.1463	1.5040		2.3609	1.4163	2.5206	2.4066	4.5737	4.1226	3.7064
O6	3.8331	2.7478	2.7487	2.7700	2.3609		1.2735	3.4198	2.5005	4.1012	2.7278	3.0023
C7	3.3410	2.7579	2.7584	2.4730	1.4163	1.2735		2.2345	1.5165	3.5346	2.7529	2.5266
H8	4.4410	4.5056	4.5063	4.0237	2.5206	3.4198	2.2345		1.0983	2.5416	3.1557	2.1844
C9	4.4682	4.1482	4.1485	3.8003	2.4066	2.5005	1.5165	1.0983		2.1671	2.1672	1.3871
H10	6.6345	6.2045	6.2045	5.9445	4.5737	4.1012	3.5346	2.5416	2.1671		1.8895	1.1004
H11	6.0933	5.2644	5.2640	5.1806	4.1226	2.7278	2.7529	3.1557	2.1672	1.8895		1.0995
C12	5.7621	5.2052	5.2051	4.9861	3.7064	3.0023	2.5266	2.1844	1.3871	1.1004	1.0995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	111.826	H1	C4	H3	111.825
H1	C4	O5	103.647	H2	C4	H3	109.935
H2	C4	O5	109.713	H3	C4	O5	109.714
C4	O5	C7	115.702	O5	C7	O6	122.645
O5	C7	C9	110.238	O6	C7	C9	127.117
C7	C9	H8	116.510	C7	C9	C12	120.894
H8	C9	C12	122.597	C9	C12	H10	120.763
C9	C12	H11	120.852	H10	C12	H11	118.385

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

using model chemistry: MP2/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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All results from a given calculation for C4H6O2 (2-Propenoic acid, methyl ester)

using model chemistry: MP2/CEP-31G

States and conformations

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