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	hartrees
Energy at 0K	-232.220430
Energy at 298.15K	-232.228790
HF Energy	-232.220430
Nuclear repulsion energy	179.387720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3159	5.71
2	A	3103	3065	0.30
3	A	3074	3037	10.53
4	A	3063	3026	21.01
5	A	3016	2980	13.15
6	A	2996	2960	38.04
7	A	2964	2929	21.39
8	A	2935	2899	57.84
9	A	1660	1640	125.95
10	A	1453	1436	7.37
11	A	1446	1428	11.81
12	A	1433	1416	13.42
13	A	1423	1406	6.27
14	A	1421	1404	7.30
15	A	1376	1359	4.07
16	A	1351	1334	30.97
17	A	1259	1244	170.76
18	A	1161	1147	0.72
19	A	1124	1111	4.12
20	A	1087	1074	101.58
21	A	1024	1012	1.01
22	A	979	967	4.11
23	A	903	892	5.84
24	A	804	794	54.82
25	A	788	779	9.04
26	A	705	697	4.47
27	A	518	512	7.44
28	A	470	464	2.63
29	A	411	406	0.82
30	A	302	298	1.11
31	A	233	230	0.39
32	A	189	187	1.81
33	A	73	72	4.97

Atom	x (Å)	y (Å)	z (Å)
C1	1.839	-0.077	0.175
H2	1.818	0.027	1.272
H3	2.665	-0.742	-0.103
H4	2.015	0.911	-0.279
O5	0.650	-0.698	-0.313
C6	-0.597	1.417	-0.039
H7	-0.020	1.851	0.791
H8	-0.184	1.820	-0.976
H9	-1.634	1.758	0.059
C10	-0.557	-0.085	-0.037
C11	-1.635	-0.865	0.130
H12	-2.622	-0.426	0.250
H13	-1.544	-1.950	0.115

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1027	1.0960	1.1014	1.4275	2.8660	2.7484	3.0028	3.9296	2.4051	3.5625	4.4756	3.8671
H2	1.1027		1.7890	1.7964	2.0982	3.0798	2.6341	3.5041	4.0476	2.7137	3.7446	4.5786	4.0676
H3	1.0960	1.7890		1.7853	2.0262	3.9125	3.8383	3.9298	4.9754	3.2885	4.3076	5.3082	4.3838
H4	1.1014	1.7964	1.7853		2.1102	2.6710	2.4832	2.4789	3.7604	2.7679	4.0791	4.8544	4.5827
O5	1.4275	2.0982	2.0262	2.1102		2.4709	2.8577	2.7347	3.3744	1.3815	2.3332	3.3314	2.5617
C6	2.8660	3.0798	3.9125	2.6710	2.4709		1.0999	1.1009	1.0955	1.5025	2.5125	2.7531	3.5008
H7	2.7484	2.6341	3.8383	2.4832	2.8577	1.0999		1.7744	1.7744	2.1728	3.2285	3.4998	4.1504
H8	3.0028	3.5041	3.9298	2.4789	2.7347	1.1009	1.7744		1.7825	2.1568	3.2465	3.5348	4.1540
H9	3.9296	4.0476	4.9754	3.7604	3.3744	1.0955	1.7744	1.7825		2.1366	2.6239	2.4046	3.7093
C10	2.4051	2.7137	3.2885	2.7679	1.3815	1.5025	2.1728	2.1568	2.1366		1.3411	2.1130	2.1155
C11	3.5625	3.7446	4.3076	4.0791	2.3332	2.5125	3.2285	3.2465	2.6239	1.3411		1.0874	1.0887
H12	4.4756	4.5786	5.3082	4.8544	3.3314	2.7531	3.4998	3.5348	2.4046	2.1130	1.0874		1.8719
H13	3.8671	4.0676	4.3838	4.5827	2.5617	3.5008	4.1504	4.1540	3.7093	2.1155	1.0887	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.779	H2	C1	H3	108.905
H2	C1	H4	109.183	H2	C1	O5	111.400
H3	C1	H4	108.675	H3	C1	O5	106.071
H4	C1	O5	112.479	O5	C10	C6	117.848
O5	C10	C11	117.946	C6	C10	C11	124.054
H7	C6	H8	107.461	H7	C6	H9	107.846
H7	C6	C10	112.294	H8	C6	H9	108.501
H8	C6	C10	110.944	H9	C6	C10	109.663
C10	C11	H12	120.578	C10	C11	H13	120.715
H12	C11	H13	118.680

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.152
2	H	0.097
3	H	0.115
4	H	0.091
5	O	-0.219
6	C	-0.236
7	H	0.091
8	H	0.093
9	H	0.085
10	C	0.135
11	C	-0.267
12	H	0.082
13	H	0.084

	x	y	z	Total
	1.041	1.575	0.351	1.920
CHELPG
AIM
ESP

	x	y	z
x	10.677	1.010	-0.119
y	1.010	8.595	-0.113
z	-0.119	-0.113	6.361

<r²>	129.910
(<r²>)^1/2	11.398

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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