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	hartrees
Energy at 0K	-304.792575
Energy at 298.15K	-304.799531
Nuclear repulsion energy	230.238377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3387	3078	2.46
2	A	3346	3040	2.82
3	A	3296	2995	6.89
4	A	3290	2990	24.52
5	A	3271	2972	26.93
6	A	3198	2906	40.73
7	A	1960	1781	296.44
8	A	1833	1665	43.25
9	A	1624	1476	6.47
10	A	1613	1466	8.44
11	A	1613	1465	40.86
12	A	1557	1415	120.51
13	A	1444	1312	182.69
14	A	1369	1244	397.32
15	A	1325	1204	66.61
16	A	1292	1174	2.93
17	A	1170	1063	1.48
18	A	1145	1040	23.40
19	A	1127	1024	20.33
20	A	1115	1013	36.83
21	A	949	862	11.01
22	A	929	844	41.29
23	A	726	660	10.29
24	A	577	524	0.00
25	A	505	459	2.71
26	A	369	335	17.38
27	A	239	217	5.64
28	A	204	185	4.17
29	A	163	148	1.11
30	A	92	84	3.09

Atom	x (Å)	y (Å)	z (Å)
H1	-2.991	-0.917	-0.002
H2	-2.424	0.513	-0.879
H3	-2.425	0.510	0.881
C4	-2.288	-0.099	0.000
O5	-1.005	-0.689	0.000
O6	-0.055	1.301	-0.000
C7	0.035	0.122	-0.000
H8	1.237	-1.709	-0.000
C9	1.312	-0.640	-0.000
H10	3.396	-0.558	0.000
H11	2.517	1.057	0.000
C12	2.470	-0.015	0.000

	H1	H2	H3	C4	O5	O6	C7	H8	C9	H10	H11	C12
H1		1.7704	1.7703	1.0777	1.9992	3.6794	3.1991	4.3017	4.3122	6.3966	5.8505	5.5345
H2	1.7704		1.7599	1.0798	2.0572	2.6471	2.6407	4.3720	4.0078	5.9824	5.0480	5.0002
H3	1.7703	1.7599		1.0798	2.0572	2.6495	2.6421	4.3722	4.0086	5.9834	5.0497	5.0014
C4	1.0777	1.0798	1.0798		1.4126	2.6361	2.3339	3.8756	3.6411	5.7025	4.9422	4.7588
O5	1.9992	2.0572	2.0572	1.4126		2.2054	1.3184	2.4631	2.3177	4.4023	3.9305	3.5392
O6	3.6794	2.6471	2.6495	2.6361	2.2054		1.1833	3.2764	2.3745	3.9200	2.5836	2.8477
C7	3.1991	2.6407	2.6421	2.3339	1.3184	1.1833		2.1902	1.4870	3.4286	2.6521	2.4385
H8	4.3017	4.3720	4.3722	3.8756	2.4631	3.2764	2.1902		1.0723	2.4464	3.0477	2.0950
C9	4.3122	4.0078	4.0086	3.6411	2.3177	2.3745	1.4870	1.0723		2.0848	2.0804	1.3150
H10	6.3966	5.9824	5.9834	5.7025	4.4023	3.9200	3.4286	2.4464	2.0848		1.8385	1.0732
H11	5.8505	5.0480	5.0497	4.9422	3.9305	2.5836	2.6521	3.0477	2.0804	1.8385		1.0731
C12	5.5345	5.0002	5.0014	4.7588	3.5392	2.8477	2.4385	2.0950	1.3150	1.0732	1.0731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H2	110.278	H1	C4	H3	110.274
H1	C4	O5	106.011	H2	C4	H3	109.160
H2	C4	O5	110.546	H3	C4	O5	110.544
C4	O5	C7	117.386	O5	C7	O6	123.565
O5	C7	C9	111.269	O6	C7	C9	125.166
C7	C9	H8	116.764	C7	C9	C12	120.865
H8	C9	C12	122.370	C9	C12	H10	121.279
C9	C12	H11	120.854	H10	C12	H11	117.867

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.121
2	H	0.128
3	H	0.128
4	C	0.158
5	O	-0.770
6	O	-0.910
7	C	0.934
8	H	0.121
9	C	-0.047
10	H	0.144
11	H	0.158
12	C	-0.164

	x	y	z	Total
	0.012	-1.721	-0.000	1.721
CHELPG
AIM
ESP

	x	y	z
x	10.704	0.478	0.000
y	0.478	7.350	0.000
z	0.000	0.000	5.734

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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