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	hartrees
Energy at 0K	-232.350510
Energy at 298.15K	-232.359029
Nuclear repulsion energy	180.063226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3291	3154	7.35
2	A	3194	3061	0.30
3	A	3165	3034	11.35
4	A	3154	3023	26.52
5	A	3111	2982	17.03
6	A	3089	2960	47.14
7	A	3049	2922	21.80
8	A	3020	2894	57.85
9	A	1745	1672	112.54
10	A	1517	1454	10.66
11	A	1509	1446	7.99
12	A	1497	1435	8.09
13	A	1485	1424	6.07
14	A	1484	1422	8.26
15	A	1434	1374	7.50
16	A	1410	1352	41.97
17	A	1321	1266	182.19
18	A	1209	1159	0.60
19	A	1174	1125	5.76
20	A	1148	1100	91.92
21	A	1067	1022	2.54
22	A	1020	977	3.35
23	A	937	898	5.28
24	A	848	813	60.16
25	A	821	787	8.39
26	A	744	713	2.03
27	A	538	515	6.07
28	A	479	459	3.20
29	A	422	405	0.68
30	A	309	296	1.14
31	A	240	230	0.84
32	A	191	183	1.66
33	A	83	80	6.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.827	-0.080	0.166
H2	1.828	0.040	1.258
H3	2.647	-0.745	-0.113
H4	1.999	0.899	-0.299
O5	0.645	-0.703	-0.296
C6	-0.586	1.414	-0.037
H7	-0.001	1.843	0.785
H8	-0.179	1.818	-0.973
H9	-1.614	1.764	0.068
C10	-0.553	-0.086	-0.038
C11	-1.634	-0.856	0.124
H12	-2.615	-0.413	0.242
H13	-1.549	-1.936	0.112

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0984	1.0917	1.0973	1.4141	2.8458	2.7250	2.9874	3.9058	2.3892	3.5469	4.4555	3.8535
H2	1.0984		1.7794	1.7866	2.0894	3.0649	2.6120	3.4878	4.0295	2.7137	3.7507	4.5798	4.0770
H3	1.0917	1.7794		1.7763	2.0113	3.8886	3.8103	3.9107	4.9485	3.2683	4.2889	5.2847	4.3683
H4	1.0973	1.7866	1.7763		2.0973	2.6489	2.4634	2.4583	3.7336	2.7480	4.0562	4.8275	4.5603
O5	1.4141	2.0894	2.0113	2.0973		2.4626	2.8405	2.7366	3.3648	1.3717	2.3218	3.3167	2.5499
C6	2.8458	3.0649	3.8886	2.6489	2.4626		1.0961	1.0966	1.0912	1.5011	2.5055	2.7453	3.4898
H7	2.7250	2.6120	3.8103	2.4634	2.8405	1.0961		1.7664	1.7668	2.1692	3.2228	3.4956	4.1396
H8	2.9874	3.4878	3.9107	2.4583	2.7366	1.0966	1.7664		1.7733	2.1534	3.2347	3.5193	4.1406
H9	3.9058	4.0295	4.9485	3.7336	3.3648	1.0912	1.7668	1.7733		2.1357	2.6205	2.4028	3.7014
C10	2.3892	2.7137	3.2683	2.7480	1.3717	1.5011	2.1692	2.1534	2.1357		1.3363	2.1065	2.1066
C11	3.5469	3.7507	4.2889	4.0562	2.3218	2.5055	3.2228	3.2347	2.6205	1.3363		1.0831	1.0840
H12	4.4555	4.5798	5.2847	4.8275	3.3167	2.7453	3.4956	3.5193	2.4028	2.1065	1.0831		1.8635
H13	3.8535	4.0770	4.3683	4.5603	2.5499	3.4898	4.1396	4.1406	3.7014	2.1066	1.0840	1.8635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.093	H2	C1	H3	108.678
H2	C1	H4	108.921	H2	C1	O5	111.918
H3	C1	H4	108.474	H3	C1	O5	106.052
H4	C1	O5	112.645	O5	C10	C6	117.940
O5	C10	C11	118.039	C6	C10	C11	123.914
H7	C6	H8	107.337	H7	C6	H9	107.748
H7	C6	C10	112.336	H8	C6	H9	108.298
H8	C6	C10	111.031	H9	C6	C10	109.938
C10	C11	H12	120.714	C10	C11	H13	120.650
H12	C11	H13	118.614

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

using model chemistry: B3PW91/6-31G**

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	-0.144
2	H	0.127
3	H	0.147
4	H	0.124
5	O	-0.490
6	C	-0.458
7	H	0.144
8	H	0.151
9	H	0.147
10	C	0.378
11	C	-0.368
12	H	0.115
13	H	0.127

	x	y	z	Total
	0.910	1.578	0.527	1.896
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	128.385
(<r²>)^1/2	11.331

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

using model chemistry: B3PW91/6-31G**

States and conformations

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