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	hartrees
Energy at 0K	-229.674515
Energy at 298.15K	-229.683170
Nuclear repulsion energy	179.326197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3432	3108	8.71
2	A	3349	3033	1.10
3	A	3308	2996	27.91
4	A	3291	2980	15.78
5	A	3256	2949	44.92
6	A	3245	2939	27.36
7	A	3202	2900	45.99
8	A	3197	2895	5.36
9	A	1884	1706	101.62
10	A	1691	1532	10.82
11	A	1680	1522	5.70
12	A	1663	1506	10.53
13	A	1653	1497	9.81
14	A	1630	1476	1.57
15	A	1587	1437	6.80
16	A	1578	1429	15.32
17	A	1398	1266	160.81
18	A	1302	1180	7.74
19	A	1262	1143	3.25
20	A	1206	1093	24.77
21	A	1183	1071	116.29
22	A	1145	1037	2.54
23	A	1077	975	79.16
24	A	993	899	6.59
25	A	857	776	6.28
26	A	815	738	7.65
27	A	598	542	5.68
28	A	496	449	11.08
29	A	444	402	1.47
30	A	297	269	3.31
31	A	221	200	2.93
32	A	176	160	1.91
33	A	46	42	9.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.850	-0.020	0.257
H2	1.766	-0.239	1.315
H3	2.707	-0.531	-0.151
H4	1.972	1.047	0.120
O5	0.710	-0.524	-0.471
C6	-0.789	1.380	-0.023
H7	-0.248	1.840	0.798
H8	-0.444	1.835	-0.945
H9	-1.840	1.596	0.104
C10	-0.559	-0.109	-0.075
C11	-1.480	-1.013	0.174
H12	-2.483	-0.732	0.420
H13	-1.245	-2.055	0.112

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0835	1.0781	1.0822	1.4434	3.0000	2.8554	3.1857	4.0312	2.4332	3.4754	4.3942	3.7073
H2	1.0835		1.7659	1.7667	2.0940	3.3071	2.9403	3.7807	4.2235	2.7120	3.5265	4.3703	3.7168
H3	1.0781	1.7659		1.7617	2.0227	3.9861	3.9058	4.0200	5.0265	3.2939	4.2267	5.2253	4.2441
H4	1.0822	1.7667	1.7617		2.1001	2.7845	2.4529	2.7562	3.8516	2.7892	4.0197	4.8065	4.4693
O5	1.4434	2.0940	2.0227	2.1001		2.4641	2.8490	2.6685	3.3656	1.3922	2.3340	3.3213	2.5509
C6	3.0000	3.3071	3.9861	2.7845	2.4641		1.0855	1.0845	1.0808	1.5074	2.4981	2.7438	3.4682
H7	2.8554	2.9403	3.9058	2.4529	2.8490	1.0855		1.7545	1.7540	2.1584	3.1695	3.4288	4.0793
H8	3.1857	3.7807	4.0200	2.7562	2.6685	1.0845	1.7545		1.7621	2.1323	3.2296	3.5508	4.1099
H9	4.0312	4.2235	5.0265	3.8516	3.3656	1.0808	1.7540	1.7621		2.1402	2.6345	2.4361	3.6997
C10	2.4332	2.7120	3.2939	2.7892	1.3922	1.5074	2.1584	2.1323	2.1402		1.3140	2.0825	2.0725
C11	3.4754	3.5265	4.2267	4.0197	2.3340	2.4981	3.1695	3.2296	2.6345	1.3140		1.0706	1.0705
H12	4.3942	4.3703	5.2253	4.8065	3.3213	2.7438	3.4288	3.5508	2.4361	2.0825	1.0706		1.8379
H13	3.7073	3.7168	4.2441	4.4693	2.5509	3.4682	4.0793	4.1099	3.6997	2.0725	1.0705	1.8379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.195	H2	C1	H3	109.561
H2	C1	H4	109.325	H2	C1	O5	111.130
H3	C1	H4	109.269	H3	C1	O5	105.763
H4	C1	O5	111.713	O5	C10	C6	116.323
O5	C10	C11	119.159	C6	C10	C11	124.463
H7	C6	H8	107.905	H7	C6	H9	108.134
H7	C6	C10	111.663	H8	C6	H9	108.940
H8	C6	C10	109.633	H9	C6	C10	110.485
C10	C11	H12	121.346	C10	C11	H13	120.373
H12	C11	H13	118.266

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

using model chemistry: HF/3-21G

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	CHELPG	ESP
1	C	-0.270	0.238	0.096
2	H	0.193	0.010	0.055
3	H	0.226	0.037	0.072
4	H	0.192	0.009	0.044
5	O	-0.685	-0.532	-0.485
6	C	-0.646	-0.374	-0.509
7	H	0.216	0.106	0.145
8	H	0.232	0.120	0.162
9	H	0.223	0.102	0.143
10	C	0.358	0.520	0.512
11	C	-0.475	-0.695	-0.731
12	H	0.206	0.221	0.244
13	H	0.229	0.238	0.251

	x	y	z	Total
	0.587	1.554	1.324	2.124
CHELPG	0.563	1.545	1.299	2.095
AIM
ESP	0.570	1.566	1.314	2.122

	x	y	z
x	7.733	1.161	-0.456
y	1.161	6.726	-0.246
z	-0.456	-0.246	3.985

<r²>	129.620
(<r²>)^1/2	11.385

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

using model chemistry: HF/3-21G

States and conformations

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