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	hartrees
Energy at 0K	-230.854039
Energy at 298.15K	-230.862712
Nuclear repulsion energy	179.379902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3445	3110	12.74
2	A	3353	3027	2.26
3	A	3335	3011	27.94
4	A	3293	2973	22.00
5	A	3272	2955	52.20
6	A	3247	2932	30.80
7	A	3201	2891	54.92
8	A	3190	2881	13.55
9	A	1892	1709	107.73
10	A	1669	1507	7.39
11	A	1663	1501	9.52
12	A	1650	1490	10.25
13	A	1638	1479	9.96
14	A	1627	1469	0.90
15	A	1590	1435	8.16
16	A	1574	1421	11.89
17	A	1415	1278	173.80
18	A	1312	1185	3.87
19	A	1269	1146	5.47
20	A	1207	1090	28.28
21	A	1187	1072	117.62
22	A	1141	1030	2.64
23	A	1071	967	83.35
24	A	1013	915	5.53
25	A	859	775	11.93
26	A	817	738	6.12
27	A	593	536	5.67
28	A	505	456	11.27
29	A	447	404	1.46
30	A	299	270	3.58
31	A	225	203	2.89
32	A	172	155	2.25
33	A	55	50	11.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.859	-0.034	0.241
H2	1.777	-0.203	1.308
H3	2.691	-0.594	-0.150
H4	2.015	1.019	0.051
O5	0.701	-0.526	-0.445
C6	-0.772	1.386	-0.021
H7	-0.201	1.852	0.775
H8	-0.458	1.835	-0.957
H9	-1.815	1.621	0.139
C10	-0.566	-0.099	-0.065
C11	-1.496	-1.009	0.162
H12	-2.504	-0.729	0.393
H13	-1.266	-2.053	0.098

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0830	1.0766	1.0817	1.4334	3.0020	2.8442	3.2091	4.0312	2.4451	3.4950	4.4210	3.7232
H2	1.0830		1.7650	1.7697	2.0819	3.2849	2.9017	3.7784	4.1944	2.7173	3.5600	4.4092	3.7607
H3	1.0766	1.7650		1.7607	2.0128	3.9919	3.8997	4.0582	5.0297	3.2954	4.2195	5.2255	4.2247
H4	1.0817	1.7697	1.7607		2.0884	2.8127	2.4764	2.7922	3.8783	2.8153	4.0566	4.8578	4.4951
O5	1.4334	2.0819	2.0128	2.0884		2.4517	2.8219	2.6802	3.3595	1.3900	2.3304	3.3194	2.5485
C6	3.0020	3.2849	3.9919	2.8127	2.4517		1.0852	1.0846	1.0807	1.5006	2.5091	2.7646	3.4765
H7	2.8442	2.9017	3.8997	2.4764	2.8219	1.0852		1.7513	1.7498	2.1559	3.1999	3.4800	4.1039
H8	3.2091	3.7784	4.0582	2.7922	2.6802	1.0846	1.7513		1.7578	2.1328	3.2283	3.5472	4.1092
H9	4.0312	4.1944	5.0297	3.8783	3.3595	1.0807	1.7498	1.7578		2.1360	2.6496	2.4618	3.7152
C10	2.4451	2.7173	3.2954	2.8153	1.3900	1.5006	2.1559	2.1328	2.1360		1.3211	2.0890	2.0818
C11	3.4950	3.5600	4.2195	4.0566	2.3304	2.5091	3.1999	3.2283	2.6496	1.3211		1.0715	1.0709
H12	4.4210	4.4092	5.2255	4.8578	3.3194	2.7646	3.4800	3.5472	2.4618	2.0890	1.0715		1.8370
H13	3.7232	3.7607	4.2247	4.4951	2.5485	3.4765	4.1039	4.1092	3.7152	2.0818	1.0709	1.8370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	119.995	H2	C1	H3	109.621
H2	C1	H4	109.669	H2	C1	O5	110.886
H3	C1	H4	109.322	H3	C1	O5	105.752
H4	C1	O5	111.504	O5	C10	C6	115.974
O5	C10	C11	118.514	C6	C10	C11	125.429
H7	C6	H8	107.630	H7	C6	H9	107.780
H7	C6	C10	111.975	H8	C6	H9	108.549
H8	C6	C10	110.145	H9	C6	C10	110.638
C10	C11	H12	121.289	C10	C11	H13	120.633
H12	C11	H13	118.062

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

using model chemistry: HF/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	CHELPG
1	C	-0.121	0.359
2	H	0.152	-0.015
3	H	0.187	0.009
4	H	0.151	-0.019
5	O	-0.745	-0.613
6	C	-0.506	-0.314
7	H	0.168	0.089
8	H	0.184	0.110
9	H	0.176	0.082
10	C	0.434	0.543
11	C	-0.421	-0.656
12	H	0.161	0.201
13	H	0.179	0.226

	x	y	z	Total
	0.537	1.687	1.363	2.234
CHELPG	0.517	1.682	1.335	2.209
AIM
ESP

	x	y	z
x	8.070	1.236	-0.423
y	1.236	7.039	-0.224
z	-0.423	-0.224	4.325

<r²>	129.975
(<r²>)^1/2	11.401

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

using model chemistry: HF/6-31G

States and conformations

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