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	hartrees
Energy at 0K	-43.300504
Energy at 298.15K	-43.308921
Nuclear repulsion energy	99.106658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3159	17.87
2	A	3134	3054	2.87
3	A	3126	3046	29.46
4	A	3106	3026	29.37
5	A	3058	2980	76.68
6	A	3056	2978	20.22
7	A	2989	2913	42.91
8	A	2972	2896	58.12
9	A	1687	1644	107.41
10	A	1519	1480	0.34
11	A	1512	1474	21.24
12	A	1503	1464	18.65
13	A	1500	1462	8.71
14	A	1478	1440	0.17
15	A	1443	1406	10.42
16	A	1424	1387	9.01
17	A	1274	1241	166.65
18	A	1185	1155	4.20
19	A	1140	1111	4.09
20	A	1080	1053	1.27
21	A	1068	1041	109.60
22	A	1022	996	3.05
23	A	917	894	5.66
24	A	890	867	78.71
25	A	764	744	10.04
26	A	730	712	5.46
27	A	521	508	7.87
28	A	459	448	4.15
29	A	410	400	1.09
30	A	286	279	2.35
31	A	224	218	1.99
32	A	182	178	1.48
33	A	77	75	10.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.872	-0.082	0.173
H2	1.860	-0.017	1.271
H3	2.686	-0.738	-0.145
H4	2.023	0.917	-0.257
O5	0.650	-0.715	-0.334
C6	-0.658	1.415	-0.038
H7	-0.068	1.853	0.779
H8	-0.273	1.824	-0.984
H9	-1.694	1.747	0.082
C10	-0.602	-0.105	-0.041
C11	-1.668	-0.923	0.128
H12	-2.665	-0.514	0.266
H13	-1.546	-2.002	0.104

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1001	1.0925	1.0988	1.4662	2.9479	2.8070	3.0937	4.0091	2.4829	3.6383	4.5578	3.9206
H2	1.1001		1.7908	1.7981	2.1277	3.1791	2.7307	3.6082	4.1422	2.7909	3.8175	4.6615	4.1117
H3	1.0925	1.7908		1.7867	2.0451	3.9792	3.8930	4.0027	5.0413	3.3499	4.3665	5.3712	4.4241
H4	1.0988	1.7981	1.7867		2.1348	2.7360	2.5147	2.5730	3.8239	2.8252	4.1422	4.9293	4.6251
O5	1.4662	2.1277	2.0451	2.1348		2.5178	2.8899	2.7789	3.4252	1.4230	2.3724	3.3743	2.5824
C6	2.9479	3.1791	3.9792	2.7360	2.5178		1.0991	1.0995	1.0944	1.5215	2.5525	2.8004	3.5336
H7	2.8070	2.7307	3.8930	2.5147	2.8899	1.0991		1.7748	1.7723	2.1889	3.2693	3.5507	4.1833
H8	3.0937	3.6082	4.0027	2.5730	2.7789	1.0995	1.7748		1.7780	2.1721	3.2754	3.5708	4.1762
H9	4.0091	4.1422	5.0413	3.8239	3.4252	1.0944	1.7723	1.7780		2.1538	2.6707	2.4677	3.7519
C10	2.4829	2.7909	3.3499	2.8252	1.4230	1.5215	2.1889	2.1721	2.1538		1.3543	2.1253	2.1238
C11	3.6383	3.8175	4.3665	4.1422	2.3724	2.5525	3.2693	3.2754	2.6707	1.3543		1.0861	1.0859
H12	4.5578	4.6615	5.3712	4.9293	3.3743	2.8004	3.5507	3.5708	2.4677	2.1253	1.0861		1.8681
H13	3.9206	4.1117	4.4241	4.6251	2.5824	3.5336	4.1833	4.1762	3.7519	2.1238	1.0859	1.8681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.479	H2	C1	H3	109.519
H2	C1	H4	109.709	H2	C1	O5	111.205
H3	C1	H4	109.240	H3	C1	O5	105.182
H4	C1	O5	111.867	O5	C10	C6	117.495
O5	C10	C11	117.322	C6	C10	C11	125.038
H7	C6	H8	107.656	H7	C6	H9	107.799
H7	C6	C10	112.287	H8	C6	H9	108.280
H8	C6	C10	110.910	H9	C6	C10	109.769
C10	C11	H12	120.732	C10	C11	H13	120.601
H12	C11	H13	118.650

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

using model chemistry: B3LYP/CEP-121G

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	-0.311
2	H	0.151
3	H	0.176
4	H	0.149
5	O	-0.246
6	C	-0.670
7	H	0.167
8	H	0.174
9	H	0.169
10	C	0.435
11	C	-0.471
12	H	0.145
13	H	0.131

	x	y	z	Total
	0.846	1.977	0.784	2.288
CHELPG
AIM
ESP

	x	y	z
x	9.932	1.216	-0.244
y	1.216	7.887	-0.140
z	-0.244	-0.140	5.408

<r²>	111.895
(<r²>)^1/2	10.578

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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