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	hartrees
Energy at 0K	-232.260696
Energy at 298.15K	-232.268986
Nuclear repulsion energy	176.095760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3183	14.61
2	A	3117	3093	1.24
3	A	3090	3066	22.69
4	A	3067	3044	21.55
5	A	3017	2994	63.75
6	A	3010	2987	19.44
7	A	2962	2939	40.06
8	A	2949	2926	44.15
9	A	1674	1661	79.64
10	A	1508	1496	0.90
11	A	1501	1489	20.25
12	A	1489	1478	18.89
13	A	1486	1475	2.34
14	A	1456	1445	0.45
15	A	1428	1417	2.59
16	A	1418	1408	7.39
17	A	1241	1231	133.29
18	A	1162	1154	6.36
19	A	1115	1106	2.74
20	A	1073	1065	3.00
21	A	1019	1011	16.42
22	A	1009	1001	97.12
23	A	894	887	6.01
24	A	850	844	63.00
25	A	740	734	8.40
26	A	715	709	3.62
27	A	515	511	6.34
28	A	458	454	3.41
29	A	413	410	0.73
30	A	288	286	1.67
31	A	223	222	1.01
32	A	173	172	2.46
33	A	73	72	7.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.897	-0.066	0.164
H2	1.910	0.057	1.262
H3	2.702	-0.748	-0.138
H4	2.048	0.914	-0.320
O5	0.659	-0.727	-0.291
C6	-0.613	1.435	-0.038
H7	-0.026	1.872	0.789
H8	-0.204	1.841	-0.982
H9	-1.649	1.791	0.065
C10	-0.585	-0.081	-0.032
C11	-1.668	-0.873	0.124
H12	-2.665	-0.445	0.232
H13	-1.572	-1.959	0.118

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1050	1.0978	1.1037	1.4751	2.9319	2.8005	3.0600	4.0040	2.4891	3.6545	4.5777	3.9514
H2	1.1050		1.7988	1.8040	2.1429	3.1554	2.6948	3.5615	4.1357	2.8136	3.8676	4.7161	4.1827
H3	1.0978	1.7988		1.7957	2.0494	3.9713	3.8944	3.9829	5.0423	3.3557	4.3794	5.3884	4.4495
H4	1.1037	1.8040	1.7957		2.1508	2.7269	2.5393	2.5241	3.8197	2.8295	4.1471	4.9363	4.6424
O5	1.4751	2.1429	2.0494	2.1508		2.5214	2.8966	2.7959	3.4342	1.4249	2.3674	3.3762	2.5806
C6	2.9319	3.1554	3.9713	2.7269	2.5214		1.1053	1.1055	1.1002	1.5164	2.5427	2.7961	3.5304
H7	2.8005	2.6948	3.8944	2.5393	2.8966	1.1053		1.7803	1.7798	2.1912	3.2671	3.5564	4.1855
H8	3.0600	3.5615	3.9829	2.5241	2.7959	1.1055	1.7803		1.7855	2.1772	3.2756	3.5716	4.1858
H9	4.0040	4.1357	5.0423	3.8197	3.4342	1.1002	1.7798	1.7855		2.1555	2.6643	2.4615	3.7510
C10	2.4891	2.8136	3.3557	2.8295	1.4249	1.5164	2.1912	2.1772	2.1555		1.3507	2.1283	2.1270
C11	3.6545	3.8676	4.3794	4.1471	2.3674	2.5427	3.2671	3.2756	2.6643	1.3507		1.0904	1.0904
H12	4.5777	4.7161	5.3884	4.9363	3.3762	2.7961	3.5564	3.5716	2.4615	2.1283	1.0904		1.8706
H13	3.9514	4.1827	4.4495	4.6424	2.5806	3.5304	4.1855	4.1858	3.7510	2.1270	1.0904	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.239	H2	C1	H3	109.494
H2	C1	H4	109.521	H2	C1	O5	111.502
H3	C1	H4	109.306	H3	C1	O5	104.651
H4	C1	O5	112.231	O5	C10	C6	117.983
O5	C10	C11	117.039	C6	C10	C11	124.860
H7	C6	H8	107.275	H7	C6	H9	107.609
H7	C6	C10	112.456	H8	C6	H9	108.096
H8	C6	C10	111.317	H9	C6	C10	109.908
C10	C11	H12	120.984	C10	C11	H13	120.865
H12	C11	H13	118.130

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

using model chemistry: BLYP/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	-0.155
2	H	0.131
3	H	0.151
4	H	0.129
5	O	-0.488
6	C	-0.441
7	H	0.137
8	H	0.143
9	H	0.139
10	C	0.347
11	C	-0.304
12	H	0.100
13	H	0.110

	x	y	z	Total
	0.901	1.816	0.636	2.124
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>	133.914
(<r²>)^1/2	11.572

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

using model chemistry: BLYP/6-31G

States and conformations

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