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	hartrees
Energy at 0K	-232.321904
Energy at 298.15K	-232.330513
Nuclear repulsion energy	180.388489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3169	5.74
2	A	3189	3065	0.12
3	A	3174	3051	10.15
4	A	3160	3037	22.40
5	A	3118	2997	12.59
6	A	3092	2972	43.82
7	A	3051	2932	20.80
8	A	3017	2900	57.10
9	A	1748	1680	124.04
10	A	1487	1430	4.14
11	A	1468	1411	14.97
12	A	1461	1404	7.55
13	A	1455	1398	11.39
14	A	1442	1386	18.24
15	A	1405	1351	20.33
16	A	1385	1331	42.71
17	A	1312	1261	164.06
18	A	1188	1142	1.80
19	A	1155	1110	81.46
20	A	1150	1105	15.66
21	A	1051	1011	2.13
22	A	1013	974	4.12
23	A	933	897	5.10
24	A	843	810	49.07
25	A	827	795	8.93
26	A	736	707	2.10
27	A	540	519	5.76
28	A	481	462	3.21
29	A	422	405	1.16
30	A	344	331	0.72
31	A	273	262	1.30
32	A	186	179	1.22
33	A	86	83	6.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.818	-0.089	0.157
H2	1.828	0.060	1.250
H3	2.639	-0.764	-0.112
H4	1.986	0.881	-0.337
O5	0.634	-0.719	-0.277
C6	-0.557	1.413	-0.037
H7	0.031	1.829	0.794
H8	-0.127	1.808	-0.970
H9	-1.583	1.784	0.056
C10	-0.553	-0.083	-0.037
C11	-1.649	-0.833	0.118
H12	-2.625	-0.367	0.227
H13	-1.577	-1.919	0.107

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1034	1.0960	1.1020	1.4092	2.8172	2.6981	2.9418	3.8848	2.3790	3.5456	4.4525	3.8568
H2	1.1034		1.7863	1.7938	2.0890	3.0294	2.5625	3.4364	4.0046	2.7105	3.7636	4.5891	4.1006
H3	1.0960	1.7863		1.7844	2.0119	3.8678	3.7876	3.8734	4.9347	3.2646	4.2941	5.2900	4.3765
H4	1.1020	1.7938	1.7844		2.0960	2.6159	2.4497	2.3932	3.7032	2.7330	4.0445	4.8108	4.5538
O5	1.4092	2.0890	2.0119	2.0960		2.4539	2.8290	2.7285	3.3611	1.3681	2.3195	3.3171	2.5450
C6	2.8172	3.0294	3.8678	2.6159	2.4539		1.1002	1.1010	1.0953	1.4958	2.5013	2.7409	3.4873
H7	2.6981	2.5625	3.7876	2.4497	2.8290	1.1002		1.7720	1.7754	2.1650	3.2189	3.4924	4.1356
H8	2.9418	3.4364	3.8734	2.3932	2.7285	1.1010	1.7720		1.7819	2.1512	3.2359	3.5219	4.1415
H9	3.8848	4.0046	4.9347	3.7032	3.3611	1.0953	1.7754	1.7819		2.1352	2.6190	2.3967	3.7042
C10	2.3790	2.7105	3.2646	2.7330	1.3681	1.4958	2.1650	2.1512	2.1352		1.3365	2.1082	2.1071
C11	3.5456	3.7636	4.2941	4.0445	2.3195	2.5013	3.2189	3.2359	2.6190	1.3365		1.0877	1.0888
H12	4.4525	4.5891	5.2900	4.8108	3.3171	2.7409	3.4924	3.5219	2.3967	2.1082	1.0877		1.8771
H13	3.8568	4.1006	4.3765	4.5538	2.5450	3.4873	4.1356	4.1415	3.7042	2.1071	1.0888	1.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.861	H2	C1	H3	108.618
H2	C1	H4	108.854	H2	C1	O5	111.907
H3	C1	H4	108.552	H3	C1	O5	106.176
H4	C1	O5	112.586	O5	C10	C6	117.860
O5	C10	C11	118.103	C6	C10	C11	123.953
H7	C6	H8	107.225	H7	C6	H9	107.929
H7	C6	C10	112.119	H8	C6	H9	108.449
H8	C6	C10	110.958	H9	C6	C10	110.021
C10	C11	H12	120.498	C10	C11	H13	120.297
H12	C11	H13	119.181

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

using model chemistry: B1B95/cc-pVDZ

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	0.085
2	H	0.032
3	H	0.046
4	H	0.027
5	O	-0.279
6	C	-0.018
7	H	0.047
8	H	0.055
9	H	0.044
10	C	-0.050
11	C	-0.026
12	H	0.016
13	H	0.020

	x	y	z	Total
	0.986	1.562	0.444	1.900
CHELPG
AIM
ESP

	x	y	z
x	9.390	1.018	-0.210
y	1.018	7.518	-0.137
z	-0.210	-0.137	4.904

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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