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	hartrees
Energy at 0K	-304.759623
Energy at 298.15K	-304.766582
Nuclear repulsion energy	229.947708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3394	3084	4.15
2	A	3354	3047	3.44
3	A	3305	3003	30.05
4	A	3300	2998	7.15
5	A	3281	2981	33.88
6	A	3205	2912	38.64
7	A	1977	1796	294.56
8	A	1840	1672	50.13
9	A	1625	1476	5.05
10	A	1612	1464	7.15
11	A	1610	1463	38.39
12	A	1554	1411	130.22
13	A	1445	1313	213.19
14	A	1367	1242	383.76
15	A	1324	1203	57.46
16	A	1289	1171	3.13
17	A	1169	1062	2.47
18	A	1138	1034	25.33
19	A	1129	1026	21.70
20	A	1115	1013	35.25
21	A	953	866	12.03
22	A	925	840	48.37
23	A	728	662	9.60
24	A	578	525	0.14
25	A	505	459	2.23
26	A	370	336	19.04
27	A	240	218	5.15
28	A	204	185	4.86
29	A	158	143	0.74
30	A	97	88	3.74

Atom	x (Å)	y (Å)	z (Å)
H1	-2.995	-0.914	-0.003
H2	-2.423	0.518	-0.880
H3	-2.426	0.514	0.883
C4	-2.291	-0.096	-0.000
O5	-1.006	-0.692	0.001
O6	-0.053	1.302	-0.000
C7	0.036	0.121	0.000
H8	1.236	-1.714	-0.001
C9	1.313	-0.642	-0.000
H10	3.401	-0.553	0.000
H11	2.512	1.061	0.001
C12	2.471	-0.014	0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7740	1.7739	1.0792	2.0015	3.6829	3.2032	4.3063	4.3166	6.4065	5.8504	5.5397
H2	1.7740		1.7632	1.0817	2.0615	2.6469	2.6426	4.3755	4.0099	5.9872	5.0426	5.0011
H3	1.7739	1.7632		1.0817	2.0613	2.6515	2.6451	4.3765	4.0119	5.9893	5.0456	5.0035
C4	1.0792	1.0817	1.0817		1.4160	2.6383	2.3371	3.8799	3.6446	5.7100	4.9399	4.7622
O5	2.0015	2.0615	2.0613	1.4160		2.2101	1.3219	2.4639	2.3194	4.4094	3.9305	3.5426
O6	3.6829	2.6469	2.6515	2.6383	2.2101		1.1846	3.2796	2.3762	3.9208	2.5764	2.8463
C7	3.2032	2.6426	2.6451	2.3371	1.3219	1.1846		2.1918	1.4871	3.4315	2.6480	2.4382
H8	4.3063	4.3755	4.3765	3.8799	2.4639	3.2796	2.1918		1.0741	2.4566	3.0537	2.1011
C9	4.3166	4.0099	4.0119	3.6446	2.3194	2.3762	1.4871	1.0741		2.0902	2.0828	1.3177
H10	6.4065	5.9872	5.9893	5.7100	4.4094	3.9208	3.4315	2.4566	2.0902		1.8424	1.0753
H11	5.8504	5.0426	5.0456	4.9399	3.9305	2.5764	2.6480	3.0537	2.0828	1.8424		1.0751
C12	5.5397	5.0011	5.0035	4.7622	3.5426	2.8463	2.4382	2.1011	1.3177	1.0753	1.0751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.361	H1	C4	H3	110.350
H1	C4	O5	105.873	H2	C4	H3	109.181
H2	C4	O5	110.534	H3	C4	O5	110.512
C4	O5	C7	117.163	O5	C7	O6	123.609
O5	C7	C9	111.184	O6	C7	C9	125.208
C7	C9	H8	116.773	C7	C9	C12	120.632
H8	C9	C12	122.595	C9	C12	H10	121.400
C9	C12	H11	120.686	H10	C12	H11	117.914

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

using model chemistry: HF/6-311G**

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	0.102
2	H	0.103
3	H	0.103
4	C	-0.004
5	O	-0.445
6	O	-0.477
7	C	0.608
8	H	0.122
9	C	-0.288
10	H	0.123
11	H	0.141
12	C	-0.088

	x	y	z	Total
	-0.012	-1.624	-0.001	1.624
CHELPG
AIM
ESP

	x	y	z
x	9.742	0.641	0.001
y	0.641	6.558	0.001
z	0.001	0.001	4.245

<r²>	174.997
(<r²>)^1/2	13.229

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

using model chemistry: HF/6-311G**

States and conformations

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