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	hartrees
Energy at 0K	-232.449970
Energy at 298.15K	-232.458497
Nuclear repulsion energy	179.994528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3152	7.24
2	A	3175	3064	0.34
3	A	3137	3027	12.09
4	A	3125	3015	26.64
5	A	3081	2973	17.94
6	A	3063	2955	44.18
7	A	3030	2924	21.56
8	A	3002	2897	52.06
9	A	1726	1666	107.76
10	A	1508	1456	7.63
11	A	1501	1449	8.10
12	A	1490	1438	7.50
13	A	1481	1429	5.39
14	A	1477	1425	5.01
15	A	1430	1380	1.65
16	A	1406	1357	27.73
17	A	1305	1260	177.66
18	A	1210	1167	0.22
19	A	1175	1134	4.88
20	A	1131	1091	105.08
21	A	1068	1031	1.73
22	A	1022	986	3.92
23	A	933	901	7.04
24	A	860	830	46.56
25	A	809	781	7.46
26	A	747	721	2.32
27	A	539	520	5.34
28	A	482	465	3.18
29	A	423	409	0.76
30	A	310	299	0.96
31	A	241	232	0.53
32	A	190	183	1.57
33	A	81	78	5.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.831	-0.078	0.165
H2	1.831	0.045	1.257
H3	2.651	-0.744	-0.112
H4	2.002	0.900	-0.303
O5	0.646	-0.701	-0.294
C6	-0.591	1.415	-0.037
H7	-0.006	1.844	0.784
H8	-0.184	1.821	-0.971
H9	-1.621	1.760	0.069
C10	-0.555	-0.089	-0.038
C11	-1.632	-0.858	0.123
H12	-2.612	-0.417	0.242
H13	-1.550	-1.937	0.111

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0984	1.0919	1.0969	1.4160	2.8525	2.7305	2.9931	3.9120	2.3946	3.5501	4.4573	3.8593
H2	1.0984		1.7803	1.7859	2.0898	3.0682	2.6142	3.4892	4.0327	2.7175	3.7536	4.5810	4.0833
H3	1.0919	1.7803		1.7773	2.0137	3.8957	3.8164	3.9185	4.9547	3.2724	4.2906	5.2853	4.3728
H4	1.0969	1.7859	1.7773		2.0982	2.6573	2.4716	2.4652	3.7421	2.7541	4.0590	4.8296	4.5649
O5	1.4160	2.0898	2.0137	2.0982		2.4643	2.8404	2.7398	3.3655	1.3714	2.3208	3.3143	2.5523
C6	2.8525	3.0682	3.8957	2.6573	2.4643		1.0958	1.0966	1.0911	1.5044	2.5043	2.7419	3.4894
H7	2.7305	2.6142	3.8164	2.4716	2.8404	1.0958		1.7645	1.7675	2.1715	3.2215	3.4924	4.1393
H8	2.9931	3.4892	3.9185	2.4652	2.7398	1.0966	1.7645		1.7741	2.1574	3.2349	3.5175	4.1421
H9	3.9120	4.0327	4.9547	3.7421	3.3655	1.0911	1.7675	1.7741		2.1373	2.6182	2.3985	3.6981
C10	2.3946	2.7175	3.2724	2.7541	1.3714	1.5044	2.1715	2.1574	2.1373		1.3330	2.1025	2.1043
C11	3.5501	3.7536	4.2906	4.0590	2.3208	2.5043	3.2215	3.2349	2.6182	1.3330		1.0816	1.0827
H12	4.4573	4.5810	5.2853	4.8296	3.3143	2.7419	3.4924	3.5175	2.3985	2.1025	1.0816		1.8592
H13	3.8593	4.0833	4.3728	4.5649	2.5523	3.4894	4.1393	4.1421	3.6981	2.1043	1.0827	1.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.413	H2	C1	H3	108.736
H2	C1	H4	108.878	H2	C1	O5	111.804
H3	C1	H4	108.577	H3	C1	O5	106.101
H4	C1	O5	112.604	O5	C10	C6	117.872
O5	C10	C11	118.215	C6	C10	C11	123.810
H7	C6	H8	107.187	H7	C6	H9	107.850
H7	C6	C10	112.305	H8	C6	H9	108.382
H8	C6	C10	111.117	H9	C6	C10	109.850
C10	C11	H12	120.742	C10	C11	H13	120.827
H12	C11	H13	118.410

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.244
2	H	0.117
3	H	0.134
4	H	0.117
5	O	-0.252
6	C	-0.485
7	H	0.129
8	H	0.133
9	H	0.132
10	C	0.435
11	C	-0.422
12	H	0.102
13	H	0.104

	x	y	z	Total
	0.875	1.460	0.468	1.765
CHELPG
AIM
ESP

	x	y	z
x	9.236	0.942	-0.222
y	0.942	7.464	-0.137
z	-0.222	-0.137	4.984

<r²>	128.702
(<r²>)^1/2	11.345

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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