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	hartrees
Energy at 0K	-232.270624
Energy at 298.15K	-232.263358
HF Energy	-232.449970
Nuclear repulsion energy	179.994654

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	117.166	H2	C1	H3	108.706
H2	C1	H4	108.719	H2	C1	O5	111.593
H3	C1	H4	108.396	H3	C1	O5	106.593
H4	C1	O5	112.701	O5	C10	C6	116.381
O5	C10	C11	119.091	C6	C10	C11	124.392
H7	C6	H8	107.287	H7	C6	H9	107.833
H7	C6	C10	112.043	H8	C6	H9	108.733
H8	C6	C10	110.357	H9	C6	C10	110.462
C10	C11	H12	121.012	C10	C11	H13	120.801
H12	C11	H13	118.155

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

using model chemistry: G4

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	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<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: G4

States and conformations

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