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	hartrees
Energy at 0K	-232.144621
Energy at 298.15K	-232.152995
Nuclear repulsion energy	178.657334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3177	6.49
2	A	3118	3082	0.30
3	A	3087	3052	9.14
4	A	3082	3047	22.95
5	A	3032	2998	12.59
6	A	3011	2977	42.94
7	A	2973	2940	23.74
8	A	2943	2910	67.74
9	A	1665	1646	127.04
10	A	1460	1444	6.48
11	A	1453	1436	14.62
12	A	1440	1423	15.62
13	A	1431	1415	6.44
14	A	1427	1411	8.39
15	A	1381	1365	6.47
16	A	1357	1341	31.98
17	A	1260	1246	180.82
18	A	1162	1149	0.86
19	A	1126	1113	4.93
20	A	1087	1074	97.73
21	A	1026	1014	1.27
22	A	981	970	4.03
23	A	902	892	6.09
24	A	799	790	66.84
25	A	789	780	9.12
26	A	705	697	5.49
27	A	519	513	8.27
28	A	465	460	2.59
29	A	411	407	1.03
30	A	303	300	1.30
31	A	233	231	0.96
32	A	189	187	1.97
33	A	87	86	6.97

Atom	x (Å)	y (Å)	z (Å)
C1	1.844	-0.085	0.160
H2	1.847	0.054	1.258
H3	2.659	-0.769	-0.115
H4	2.014	0.888	-0.334
O5	0.642	-0.721	-0.284
C6	-0.573	1.426	-0.037
H7	0.023	1.853	0.788
H8	-0.165	1.829	-0.982
H9	-1.605	1.788	0.074
C10	-0.560	-0.081	-0.035
C11	-1.658	-0.850	0.120
H12	-2.643	-0.393	0.226
H13	-1.583	-1.939	0.111

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1066	1.0994	1.1053	1.4301	2.8572	2.7322	3.0006	3.9258	2.4116	3.5847	4.4980	3.8963
H2	1.1066		1.7959	1.8050	2.1048	3.0680	2.6036	3.4943	4.0399	2.7351	3.7943	4.6285	4.1295
H3	1.0994	1.7959		1.7924	2.0247	3.9080	3.8262	3.9341	4.9760	3.2929	4.3247	5.3268	4.4065
H4	1.1053	1.8050	1.7924		2.1149	2.6584	2.4801	2.4596	3.7510	2.7662	4.0877	4.8622	4.5966
O5	1.4301	2.1048	2.0247	2.1149		2.4792	2.8560	2.7639	3.3873	1.3845	2.3393	3.3410	2.5675
C6	2.8572	3.0680	3.9080	2.6584	2.4792		1.1040	1.1049	1.0994	1.5070	2.5261	2.7683	3.5165
H7	2.7322	2.6036	3.8262	2.4801	2.8560	1.1040		1.7799	1.7792	2.1809	3.2523	3.5311	4.1734
H8	3.0006	3.4943	3.9341	2.4596	2.7639	1.1049	1.7799		1.7859	2.1680	3.2586	3.5407	4.1716
H9	3.9258	4.0399	4.9760	3.7510	3.3873	1.0994	1.7792	1.7859		2.1442	2.6388	2.4203	3.7275
C10	2.4116	2.7351	3.2929	2.7662	1.3845	1.5070	2.1809	2.1680	2.1442		1.3495	2.1226	2.1262
C11	3.5847	3.7943	4.3247	4.0877	2.3393	2.5261	3.2523	3.2586	2.6388	1.3495		1.0909	1.0920
H12	4.4980	4.6285	5.3268	4.8622	3.3410	2.7683	3.5311	3.5407	2.4203	2.1226	1.0909		1.8784
H13	3.8963	4.1295	4.4065	4.5966	2.5675	3.5165	4.1734	4.1716	3.7275	2.1262	1.0920	1.8784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.914	H2	C1	H3	108.993
H2	C1	H4	109.385	H2	C1	O5	111.510
H3	C1	H4	108.778	H3	C1	O5	105.604
H4	C1	O5	112.429	O5	C10	C6	117.996
O5	C10	C11	117.648	C6	C10	C11	124.245
H7	C6	H8	107.372	H7	C6	H9	107.702
H7	C6	C10	112.376	H8	C6	H9	108.230
H8	C6	C10	111.279	H9	C6	C10	109.722
C10	C11	H12	120.493	C10	C11	H13	120.746
H12	C11	H13	118.736

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.270
2	H	0.164
3	H	0.174
4	H	0.159
5	O	-0.268
6	C	-0.623
7	H	0.181
8	H	0.192
9	H	0.182
10	C	0.308
11	C	-0.496
12	H	0.142
13	H	0.155

	x	y	z	Total
	1.004	1.714	0.475	2.042
CHELPG
AIM
ESP

	x	y	z
x	10.549	1.139	-0.149
y	1.139	8.420	-0.138
z	-0.149	-0.138	6.473

<r²>	130.825
(<r²>)^1/2	11.438

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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