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	hartrees
Energy at 0K	-232.398847
Energy at 298.15K	-232.407262
Nuclear repulsion energy	177.056062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3171	13.93
2	A	3187	3064	0.67
3	A	3176	3053	26.79
4	A	3161	3039	27.95
5	A	3112	2991	72.75
6	A	3108	2988	16.61
7	A	3039	2921	40.25
8	A	3026	2909	54.64
9	A	1715	1649	120.28
10	A	1525	1466	0.12
11	A	1519	1460	24.12
12	A	1508	1450	26.95
13	A	1506	1447	8.83
14	A	1487	1429	1.82
15	A	1452	1396	13.08
16	A	1434	1379	13.68
17	A	1292	1242	178.05
18	A	1190	1144	6.54
19	A	1143	1099	3.02
20	A	1086	1044	6.15
21	A	1078	1037	94.79
22	A	1028	988	3.66
23	A	927	891	69.39
24	A	923	887	43.57
25	A	769	740	10.82
26	A	735	707	4.03
27	A	529	509	7.68
28	A	471	453	3.72
29	A	417	400	0.94
30	A	294	283	2.64
31	A	228	219	1.53
32	A	179	172	2.18
33	A	79	76	10.98

Atom	x (Å)	y (Å)	z (Å)
C1	1.885	-0.071	0.165
H2	1.903	0.022	1.261
H3	2.692	-0.735	-0.156
H4	2.030	0.918	-0.289
O5	0.657	-0.711	-0.293
C6	-0.612	1.432	-0.037
H7	-0.019	1.861	0.782
H8	-0.218	1.833	-0.981
H9	-1.643	1.778	0.078
C10	-0.579	-0.082	-0.034
C11	-1.660	-0.875	0.123
H12	-2.650	-0.450	0.243
H13	-1.559	-1.956	0.109

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0996	1.0926	1.0984	1.4589	2.9223	2.7827	3.0607	3.9851	2.4724	3.6353	4.5519	3.9262
H2	1.0996		1.7895	1.7950	2.1225	3.1624	2.7034	3.5790	4.1305	2.8015	3.8460	4.6893	4.1496
H3	1.0926	1.7895		1.7858	2.0394	3.9531	3.8692	3.9680	5.0164	3.3374	4.3625	5.3642	4.4300
H4	1.0984	1.7950	1.7858		2.1304	2.7032	2.4971	2.5238	3.7902	2.8053	4.1227	4.9044	4.6144
O5	1.4589	2.1225	2.0394	2.1304		2.5040	2.8689	2.7773	3.4097	1.4109	2.3595	3.3605	2.5729
C6	2.9223	3.1624	3.9531	2.7032	2.5040		1.0986	1.0990	1.0938	1.5144	2.5389	2.7878	3.5205
H7	2.7827	2.7034	3.8692	2.4971	2.8689	1.0986		1.7750	1.7721	2.1806	3.2576	3.5427	4.1701
H8	3.0607	3.5790	3.9680	2.5238	2.7773	1.0990	1.7750		1.7767	2.1668	3.2607	3.5529	4.1643
H9	3.9851	4.1305	5.0164	3.7902	3.4097	1.0938	1.7721	1.7767		2.1460	2.6536	2.4500	3.7348
C10	2.4724	2.8015	3.3374	2.8053	1.4109	1.5144	2.1806	2.1668	2.1460		1.3497	2.1217	2.1192
C11	3.6353	3.8460	4.3625	4.1227	2.3595	2.5389	3.2576	3.2607	2.6536	1.3497		1.0846	1.0853
H12	4.5519	4.6893	5.3642	4.9044	3.3605	2.7878	3.5427	3.5529	2.4500	2.1217	1.0846		1.8648
H13	3.9262	4.1496	4.4300	4.6144	2.5729	3.5205	4.1701	4.1643	3.7348	2.1192	1.0853	1.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.966	H2	C1	H3	109.430
H2	C1	H4	109.499	H2	C1	O5	111.336
H3	C1	H4	109.188	H3	C1	O5	105.214
H4	C1	O5	112.058	O5	C10	C6	117.694
O5	C10	C11	117.437	C6	C10	C11	124.758
H7	C6	H8	107.745	H7	C6	H9	107.862
H7	C6	C10	112.158	H8	C6	H9	108.245
H8	C6	C10	111.016	H9	C6	C10	109.679
C10	C11	H12	120.894	C10	C11	H13	120.597
H12	C11	H13	118.495

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

using model chemistry: B3LYP/SDD

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	-0.458
2	H	0.201
3	H	0.226
4	H	0.202
5	O	-0.326
6	C	-0.722
7	H	0.214
8	H	0.219
9	H	0.223
10	C	0.436
11	C	-0.655
12	H	0.217
13	H	0.222

	x	y	z	Total
	1.001	2.083	0.755	2.432
CHELPG
AIM
ESP

	x	y	z
x	9.084	1.095	-0.270
y	1.095	6.929	-0.150
z	-0.270	-0.150	4.628

<r²>	132.660
(<r²>)^1/2	11.518

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

using model chemistry: B3LYP/SDD

States and conformations

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