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	hartrees
Energy at 0K	-232.133391
Energy at 298.15K	-232.141762
Nuclear repulsion energy	178.896026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3175	7.25
2	A	3123	3080	0.27
3	A	3093	3051	10.94
4	A	3078	3036	23.72
5	A	3035	2993	16.65
6	A	3005	2964	45.50
7	A	2976	2936	21.09
8	A	2941	2901	61.66
9	A	1685	1662	101.99
10	A	1470	1450	8.86
11	A	1462	1442	10.20
12	A	1450	1430	11.20
13	A	1439	1419	4.55
14	A	1437	1418	6.64
15	A	1387	1368	4.96
16	A	1364	1345	33.55
17	A	1273	1256	172.35
18	A	1169	1152	0.98
19	A	1132	1117	4.41
20	A	1100	1085	88.71
21	A	1032	1018	2.11
22	A	986	973	3.40
23	A	906	893	4.37
24	A	796	785	23.76
25	A	792	781	37.91
26	A	710	700	3.37
27	A	519	512	6.32
28	A	465	458	2.27
29	A	411	405	0.67
30	A	305	301	0.94
31	A	238	235	0.56
32	A	190	187	1.87
33	A	78	77	5.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.840	-0.086	0.148
H2	1.865	0.092	1.240
H3	2.656	-0.774	-0.116
H4	2.008	0.875	-0.374
O5	0.638	-0.735	-0.262
C6	-0.563	1.424	-0.036
H7	0.031	1.849	0.791
H8	-0.145	1.824	-0.977
H9	-1.593	1.794	0.066
C10	-0.558	-0.082	-0.032
C11	-1.665	-0.837	0.112
H12	-2.646	-0.370	0.206
H13	-1.602	-1.926	0.107

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1068	1.0997	1.1057	1.4258	2.8438	2.7257	2.9750	3.9143	2.4051	3.5848	4.4955	3.9031
H2	1.1068		1.7928	1.7993	2.1079	3.0492	2.5791	3.4573	4.0284	2.7423	3.8203	4.6510	4.1681
H3	1.0997	1.7928		1.7901	2.0236	3.8987	3.8201	3.9160	4.9678	3.2893	4.3280	5.3275	4.4169
H4	1.1057	1.7993	1.7901		2.1160	2.6502	2.4924	2.4283	3.7416	2.7599	4.0809	4.8521	4.5939
O5	1.4258	2.1079	2.0236	2.1160		2.4808	2.8557	2.7699	3.3882	1.3824	2.3360	3.3377	2.5640
C6	2.8438	3.0492	3.8987	2.6502	2.4808		1.1040	1.1046	1.0988	1.5064	2.5194	2.7599	3.5105
H7	2.7257	2.5791	3.8201	2.4924	2.8557	1.1040		1.7769	1.7791	2.1810	3.2487	3.5268	4.1701
H8	2.9750	3.4573	3.9160	2.4283	2.7699	1.1046	1.7769		1.7849	2.1678	3.2525	3.5316	4.1671
H9	3.9143	4.0284	4.9678	3.7416	3.3882	1.0988	1.7791	1.7849		2.1448	2.6323	2.4113	3.7207
C10	2.4051	2.7423	3.2893	2.7599	1.3824	1.5064	2.1810	2.1678	2.1448		1.3471	2.1208	2.1231
C11	3.5848	3.8203	4.3280	4.0809	2.3360	2.5194	3.2487	3.2525	2.6323	1.3471		1.0903	1.0914
H12	4.4955	4.6510	5.3275	4.8521	3.3377	2.7599	3.5268	3.5316	2.4113	2.1208	1.0903		1.8767
H13	3.9031	4.1681	4.4169	4.5939	2.5640	3.5105	4.1701	4.1671	3.7207	2.1231	1.0914	1.8767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.836	H2	C1	H3	108.686
H2	C1	H4	108.824	H2	C1	O5	112.062
H3	C1	H4	108.520	H3	C1	O5	105.784
H4	C1	O5	112.804	O5	C10	C6	118.299
O5	C10	C11	117.699	C6	C10	C11	123.904
H7	C6	H8	107.136	H7	C6	H9	107.734
H7	C6	C10	112.424	H8	C6	H9	108.208
H8	C6	C10	111.323	H9	C6	C10	109.845
C10	C11	H12	120.583	C10	C11	H13	120.716
H12	C11	H13	118.676

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

using model chemistry: PBEPBE/6-31G**

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	-0.143
2	H	0.121
3	H	0.138
4	H	0.118
5	O	-0.442
6	C	-0.437
7	H	0.136
8	H	0.141
9	H	0.137
10	C	0.358
11	C	-0.335
12	H	0.099
13	H	0.109

	x	y	z	Total
	0.992	1.554	0.414	1.890
CHELPG
AIM
ESP

	x	y	z
x	9.474	0.958	-0.219
y	0.958	7.428	-0.121
z	-0.219	-0.121	4.733

<r²>	129.921
(<r²>)^1/2	11.398

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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