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	hartrees
Energy at 0K	-232.134778
Energy at 298.15K	-232.143141
Nuclear repulsion energy	178.665596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3193	5.90
2	A	3106	3088	0.15
3	A	3086	3068	9.81
4	A	3069	3051	19.96
5	A	3028	3010	13.42
6	A	2994	2977	43.36
7	A	2966	2948	20.91
8	A	2925	2908	64.74
9	A	1676	1666	109.44
10	A	1427	1419	9.90
11	A	1420	1412	8.14
12	A	1412	1404	6.16
13	A	1400	1392	17.01
14	A	1396	1387	4.37
15	A	1357	1349	10.78
16	A	1333	1325	38.88
17	A	1262	1254	164.06
18	A	1152	1146	1.20
19	A	1113	1106	8.00
20	A	1095	1089	87.45
21	A	1013	1007	1.51
22	A	971	965	3.36
23	A	901	896	4.40
24	A	796	792	24.59
25	A	791	786	28.62
26	A	703	699	3.25
27	A	518	515	6.99
28	A	467	464	2.27
29	A	409	406	0.83
30	A	303	302	0.77
31	A	237	235	0.56
32	A	191	190	1.75
33	A	75	75	4.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.840	-0.085	0.148
H2	1.859	0.104	1.245
H3	2.660	-0.784	-0.103
H4	2.020	0.874	-0.385
O5	0.639	-0.733	-0.263
C6	-0.566	1.424	-0.036
H7	0.023	1.851	0.803
H8	-0.134	1.828	-0.976
H9	-1.603	1.795	0.057
C10	-0.558	-0.081	-0.033
C11	-1.665	-0.840	0.113
H12	-2.652	-0.372	0.206
H13	-1.591	-1.936	0.107

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1139	1.1061	1.1126	1.4245	2.8462	2.7350	2.9700	3.9240	2.4046	3.5855	4.5016	3.8985
H2	1.1139		1.8027	1.8106	2.1126	3.0437	2.5727	3.4466	4.0320	2.7405	3.8202	4.6540	4.1669
H3	1.1061	1.8027		1.8000	2.0273	3.9097	3.8365	3.9229	4.9848	3.2940	4.3304	5.3368	4.4090
H4	1.1126	1.8106	1.8000		2.1220	2.6667	2.5206	2.4284	3.7640	2.7715	4.0945	4.8712	4.6019
O5	1.4245	2.1126	2.0273	2.1220		2.4807	2.8618	2.7681	3.3938	1.3818	2.3371	3.3441	2.5610
C6	2.8462	3.0437	3.9097	2.6667	2.4807		1.1102	1.1111	1.1051	1.5051	2.5207	2.7626	3.5151
H7	2.7350	2.5727	3.8365	2.5206	2.8618	1.1102		1.7859	1.7896	2.1840	3.2507	3.5287	4.1747
H8	2.9700	3.4466	3.9229	2.4284	2.7681	1.1111	1.7859		1.7961	2.1713	3.2631	3.5461	4.1785
H9	3.9240	4.0320	4.9848	3.7640	3.3938	1.1051	1.7896	1.7961		2.1498	2.6364	2.4118	3.7310
C10	2.4046	2.7405	3.2940	2.7715	1.3818	1.5051	2.1840	2.1713	2.1498		1.3501	2.1278	2.1274
C11	3.5855	3.8202	4.3304	4.0945	2.3371	2.5207	3.2507	3.2631	2.6364	1.3501		1.0967	1.0981
H12	4.5016	4.6540	5.3368	4.8712	3.3441	2.7626	3.5287	3.5461	2.4118	2.1278	1.0967		1.8927
H13	3.8985	4.1669	4.4090	4.6019	2.5610	3.5151	4.1747	4.1785	3.7310	2.1274	1.0981	1.8927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.915	H2	C1	H3	108.590
H2	C1	H4	108.822	H2	C1	O5	112.079
H3	C1	H4	108.441	H3	C1	O5	105.785
H4	C1	O5	112.949	O5	C10	C6	118.407
O5	C10	C11	117.619	C6	C10	C11	123.883
H7	C6	H8	107.026	H7	C6	H9	107.763
H7	C6	C10	112.366	H8	C6	H9	108.278
H8	C6	C10	111.293	H9	C6	C10	109.946
C10	C11	H12	120.481	C10	C11	H13	120.325
H12	C11	H13	119.164

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)

using model chemistry: PBEPBE/cc-pVDZ

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	C	0.057
2	H	0.035
3	H	0.047
4	H	0.031
5	O	-0.234
6	C	-0.033
7	H	0.049
8	H	0.055
9	H	0.043
10	C	-0.046
11	C	-0.033
12	H	0.014
13	H	0.015

	x	y	z	Total
	1.050	1.519	0.375	1.884
CHELPG
AIM
ESP

	x	y	z
x	9.883	1.027	-0.184
y	1.027	7.839	-0.132
z	-0.184	-0.132	5.033

<r²>	130.388
(<r²>)^1/2	11.419

All results from a given calculation for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)