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	hartrees
Energy at 0K	-231.159013
Energy at 298.15K	-231.167463
Nuclear repulsion energy	177.872280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3165	7.65
2	A	3193	3081	0.19
3	A	3147	3037	3.18
4	A	3145	3034	30.75
5	A	3091	2983	22.10
6	A	3081	2973	42.53
7	A	3048	2941	20.24
8	A	3026	2920	40.35
9	A	1729	1669	90.96
10	A	1575	1520	10.56
11	A	1564	1509	12.86
12	A	1551	1497	19.95
13	A	1548	1493	5.48
14	A	1509	1456	0.26
15	A	1475	1424	4.88
16	A	1464	1413	12.36
17	A	1293	1247	150.72
18	A	1193	1151	14.01
19	A	1152	1112	3.43
20	A	1107	1068	5.02
21	A	1082	1044	103.06
22	A	1059	1022	3.67
23	A	921	889	4.82
24	A	899	868	76.00
25	A	773	746	6.66
26	A	752	726	2.61
27	A	536	517	6.72
28	A	473	457	4.50
29	A	427	412	0.82
30	A	292	281	1.87
31	A	236	228	0.78
32	A	178	172	3.01
33	A	61	59	7.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.872	-0.058	0.167
H2	1.888	0.060	1.257
H3	2.686	-0.720	-0.136
H4	2.015	0.922	-0.301
O5	0.656	-0.726	-0.293
C6	-0.610	1.419	-0.040
H7	-0.047	1.844	0.800
H8	-0.179	1.816	-0.968
H9	-1.644	1.762	0.037
C10	-0.571	-0.092	-0.039
C11	-1.652	-0.856	0.127
H12	-2.634	-0.419	0.245
H13	-1.563	-1.935	0.123

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0973	1.0911	1.0960	1.4617	2.8966	2.7752	3.0012	3.9620	2.4524	3.6136	4.5217	3.9146
H2	1.0973		1.7846	1.7860	2.1305	3.1268	2.6716	3.5084	4.1071	2.7845	3.8276	4.6593	4.1445
H3	1.0911	1.7846		1.7816	2.0365	3.9305	3.8618	3.9150	4.9939	3.3185	4.3480	5.3423	4.4270
H4	1.0960	1.7860	1.7816		2.1361	2.6842	2.5119	2.4604	3.7691	2.7897	4.0976	4.8692	4.5981
O5	1.4617	2.1305	2.0365	2.1361		2.5032	2.8789	2.7588	3.4038	1.4039	2.3489	3.3474	2.5606
C6	2.8966	3.1268	3.9305	2.6842	2.5032		1.0972	1.0969	1.0920	1.5112	2.5080	2.7489	3.4904
H7	2.7752	2.6716	3.8618	2.5119	2.8789	1.0972		1.7725	1.7723	2.1735	3.2123	3.4819	4.1272
H8	3.0012	3.5084	3.9150	2.4604	2.7588	1.0969	1.7725		1.7774	2.1573	3.2416	3.5345	4.1439
H9	3.9620	4.1071	4.9939	3.7691	3.4038	1.0920	1.7723	1.7774		2.1432	2.6198	2.4042	3.6986
C10	2.4524	2.7845	3.3185	2.7897	1.4039	1.5112	2.1735	2.1573	2.1432		1.3343	2.1081	2.0994
C11	3.6136	3.8276	4.3480	4.0976	2.3489	2.5080	3.2123	3.2416	2.6198	1.3343		1.0816	1.0822
H12	4.5217	4.6593	5.3423	4.8692	3.3474	2.7489	3.4819	3.5345	2.4042	2.1081	1.0816		1.8599
H13	3.9146	4.1445	4.4270	4.5981	2.5606	3.4904	4.1272	4.1439	3.6986	2.0994	1.0822	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.680	H2	C1	H3	109.266
H2	C1	H4	109.033	H2	C1	O5	111.936
H3	C1	H4	109.094	H3	C1	O5	104.899
H4	C1	O5	112.483	O5	C10	C6	118.295
O5	C10	C11	118.127	C6	C10	C11	123.499
H7	C6	H8	107.773	H7	C6	H9	108.105
H7	C6	C10	111.893	H8	C6	H9	108.582
H8	C6	C10	110.609	H9	C6	C10	109.778
C10	C11	H12	121.173	C10	C11	H13	120.274
H12	C11	H13	118.537

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.326	-0.005
2	H	0.189	0.067
3	H	0.216	0.090
4	H	0.189	0.060
5	O	-0.517	-0.368
6	C	-0.623	-0.549
7	H	0.204	0.153
8	H	0.211	0.164
9	H	0.209	0.159
10	C	0.302	0.474
11	C	-0.421	-0.703
12	H	0.174	0.230
13	H	0.192	0.228

	x	y	z	Total
	0.981	1.743	0.626	2.096
CHELPG
AIM
ESP	0.978	1.756	0.622	2.104

	x	y	z
x	8.751	1.001	-0.273
y	1.001	6.660	-0.126
z	-0.273	-0.126	4.005

<r²>	131.363
(<r²>)^1/2	11.461

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

using model chemistry: B3LYP/3-21G

States and conformations

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