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	hartrees
Energy at 0K	-305.652237
Energy at 298.15K	-305.658873
HF Energy	-304.697689
Nuclear repulsion energy	227.744385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3359	3129	2.80
2	A	3303	3077	2.34
3	A	3278	3054	14.99
4	A	3257	3035	3.30
5	A	3247	3025	18.80
6	A	3156	2940	30.20
7	A	1869	1742	237.73
8	A	1756	1636	19.91
9	A	1558	1452	8.60
10	A	1542	1437	6.71
11	A	1532	1427	26.38
12	A	1492	1390	77.46
13	A	1375	1281	154.46
14	A	1294	1206	344.20
15	A	1249	1163	14.60
16	A	1213	1130	2.36
17	A	1116	1039	3.27
18	A	1077	1003	14.29
19	A	1026	955	39.47
20	A	985	917	23.41
21	A	900	839	11.32
22	A	823	766	30.17
23	A	685	639	7.94
24	A	522	486	0.02
25	A	483	450	1.78
26	A	352	328	16.64
27	A	228	213	4.56
28	A	184	171	6.05
29	A	151	141	0.89
30	A	76	71	2.10

Atom	x (Å)	y (Å)	z (Å)
H1	-3.021	-0.898	-0.003
H2	-2.421	0.532	-0.883
H3	-2.423	0.527	0.887
C4	-2.300	-0.089	0.000
O5	-1.017	-0.716	0.000
O6	-0.055	1.324	-0.000
C7	0.037	0.117	-0.001
H8	1.238	-1.727	-0.002
C9	1.315	-0.650	-0.001
H10	3.423	-0.553	0.001
H11	2.533	1.067	0.002
C12	2.490	-0.013	0.001

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7832	1.7832	1.0833	2.0121	3.7055	3.2213	4.3383	4.3428	6.4533	5.8910	5.5811
H2	1.7832		1.7706	1.0867	2.0764	2.6464	2.6441	4.3892	4.0166	6.0096	5.0606	5.0191
H3	1.7832	1.7706		1.0868	2.0765	2.6517	2.6474	4.3901	4.0185	6.0116	5.0639	5.0216
C4	1.0833	1.0867	1.0868		1.4288	2.6526	2.3460	3.8987	3.6586	5.7425	4.9696	4.7906
O5	2.0121	2.0764	2.0765	1.4288		2.2554	1.3430	2.4704	2.3327	4.4431	3.9725	3.5764
O6	3.7055	2.6464	2.6517	2.6526	2.2554		1.2105	3.3130	2.4023	3.9526	2.6008	2.8742
C7	3.2213	2.6441	2.6474	2.3460	1.3430	1.2105		2.2001	1.4904	3.4524	2.6711	2.4565
H8	4.3383	4.3892	4.3901	3.8987	2.4704	3.3130	2.2001		1.0798	2.4807	3.0791	2.1227
C9	4.3428	4.0166	4.0185	3.6586	2.3327	2.4023	1.4904	1.0798		2.1106	2.1046	1.3364
H10	6.4533	6.0096	6.0116	5.7425	4.4431	3.9526	3.4524	2.4807	2.1106		1.8487	1.0791
H11	5.8910	5.0606	5.0639	4.9696	3.9725	2.6008	2.6711	3.0791	2.1046	1.8487		1.0801
C12	5.5811	5.0191	5.0216	4.7906	3.5764	2.8742	2.4565	2.1227	1.3364	1.0791	1.0801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.521	H1	C4	H3	110.511
H1	C4	O5	105.623	H2	C4	H3	109.102
H2	C4	O5	110.525	H3	C4	O5	110.530
C4	O5	C7	115.604	O5	C7	O6	123.995
O5	C7	C9	110.721	O6	C7	C9	125.284
C7	C9	H8	116.833	C7	C9	C12	120.586
H8	C9	C12	122.582	C9	C12	H10	121.439
C9	C12	H11	120.775	H10	C12	H11	117.786

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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