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	hartrees
Energy at 0K	-232.398511
Energy at 298.15K	-232.406924
Nuclear repulsion energy	177.060023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3170	13.79
2	A	3186	3063	0.67
3	A	3176	3053	26.44
4	A	3161	3038	27.83
5	A	3112	2991	71.34
6	A	3109	2988	17.97
7	A	3039	2921	40.07
8	A	3026	2909	54.20
9	A	1716	1649	119.57
10	A	1526	1466	0.14
11	A	1519	1460	24.03
12	A	1509	1450	26.73
13	A	1506	1448	9.37
14	A	1487	1429	1.78
15	A	1452	1396	12.82
16	A	1434	1378	13.93
17	A	1293	1243	176.51
18	A	1190	1144	6.56
19	A	1143	1099	2.99
20	A	1087	1045	6.31
21	A	1078	1037	94.06
22	A	1028	988	3.65
23	A	928	892	80.85
24	A	923	887	32.18
25	A	770	740	10.74
26	A	736	707	4.06
27	A	529	509	7.75
28	A	471	453	3.74
29	A	417	400	0.96
30	A	294	283	2.66
31	A	228	219	1.60
32	A	179	172	2.13
33	A	79	76	11.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.885	-0.071	0.167
H2	1.901	0.017	1.263
H3	2.692	-0.733	-0.157
H4	2.029	0.921	-0.283
O5	0.658	-0.710	-0.296
C6	-0.614	1.432	-0.037
H7	-0.021	1.861	0.782
H8	-0.221	1.833	-0.982
H9	-1.646	1.776	0.078
C10	-0.579	-0.082	-0.035
C11	-1.658	-0.877	0.124
H12	-2.649	-0.453	0.246
H13	-1.556	-1.957	0.110

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0996	1.0926	1.0983	1.4591	2.9232	2.7832	3.0627	3.9857	2.4721	3.6338	4.5507	3.9242
H2	1.0996		1.7896	1.7948	2.1224	3.1650	2.7071	3.5831	4.1324	2.8006	3.8422	4.6859	4.1443
H3	1.0926	1.7896		1.7858	2.0394	3.9533	3.8694	3.9685	5.0165	3.3372	4.3617	5.3635	4.4289
H4	1.0983	1.7948	1.7858		2.1304	2.7029	2.4942	2.5263	3.7899	2.8048	4.1218	4.9037	4.6136
O5	1.4591	2.1224	2.0394	2.1304		2.5040	2.8694	2.7764	3.4095	1.4110	2.3595	3.3605	2.5729
C6	2.9232	3.1650	3.9533	2.7029	2.5040		1.0985	1.0989	1.0938	1.5144	2.5387	2.7878	3.5203
H7	2.7832	2.7071	3.8694	2.4942	2.8694	1.0985		1.7751	1.7721	2.1805	3.2569	3.5419	4.1695
H8	3.0627	3.5831	3.9685	2.5263	2.7764	1.0989	1.7751		1.7768	2.1665	3.2607	3.5534	4.1642
H9	3.9857	4.1324	5.0165	3.7899	3.4095	1.0938	1.7721	1.7768		2.1458	2.6533	2.4499	3.7345
C10	2.4721	2.8006	3.3372	2.8048	1.4110	1.5144	2.1805	2.1665	2.1458		1.3495	2.1216	2.1191
C11	3.6338	3.8422	4.3617	4.1218	2.3595	2.5387	3.2569	3.2607	2.6533	1.3495		1.0846	1.0853
H12	4.5507	4.6859	5.3635	4.9037	3.3605	2.7878	3.5419	3.5534	2.4499	2.1216	1.0846		1.8647
H13	3.9242	4.1443	4.4289	4.6136	2.5729	3.5203	4.1695	4.1642	3.7345	2.1191	1.0853	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.924	H2	C1	H3	109.444
H2	C1	H4	109.499	H2	C1	O5	111.321
H3	C1	H4	109.197	H3	C1	O5	105.209
H4	C1	O5	112.055	O5	C10	C6	117.687
O5	C10	C11	117.441	C6	C10	C11	124.759
H7	C6	H8	107.760	H7	C6	H9	107.869
H7	C6	C10	112.154	H8	C6	H9	108.254
H8	C6	C10	111.003	H9	C6	C10	109.668
C10	C11	H12	120.905	C10	C11	H13	120.599
H12	C11	H13	118.480

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

using model chemistry: B3LYP/LANL2DZ

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	-0.465
2	H	0.203
3	H	0.229
4	H	0.204
5	O	-0.326
6	C	-0.722
7	H	0.215
8	H	0.220
9	H	0.224
10	C	0.431
11	C	-0.655
12	H	0.218
13	H	0.223

	x	y	z	Total
	0.994	2.080	0.766	2.429
CHELPG
AIM
ESP

	x	y	z
x	9.073	1.093	-0.276
y	1.093	6.926	-0.153
z	-0.276	-0.153	4.610

<r²>	132.634
(<r²>)^1/2	11.517

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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