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	hartrees
Energy at 0K	-230.951350
Energy at 298.15K	-230.960099
HF Energy	-230.951350
Nuclear repulsion energy	181.188210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3438	3089	13.58
2	A	3354	3013	2.63
3	A	3318	2982	40.39
4	A	3302	2967	27.69
5	A	3265	2933	49.15
6	A	3257	2927	49.29
7	A	3208	2883	50.77
8	A	3201	2877	25.18
9	A	1894	1702	117.13
10	A	1662	1493	5.90
11	A	1654	1486	7.05
12	A	1641	1474	5.78
13	A	1632	1466	0.97
14	A	1624	1459	6.43
15	A	1579	1419	10.06
16	A	1551	1394	35.76
17	A	1432	1287	189.39
18	A	1328	1193	1.09
19	A	1292	1161	7.56
20	A	1242	1116	140.76
21	A	1176	1057	3.59
22	A	1122	1008	3.24
23	A	1022	919	15.99
24	A	1011	908	57.78
25	A	882	793	10.88
26	A	828	744	3.30
27	A	597	537	4.02
28	A	512	460	8.87
29	A	447	401	0.79
30	A	320	288	1.75
31	A	239	214	2.12
32	A	185	167	1.28
33	A	66	59	7.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.805	-0.037	0.250
H2	1.692	-0.197	1.318
H3	2.664	-0.590	-0.101
H4	1.970	1.018	0.063
O5	0.699	-0.529	-0.457
C6	-0.750	1.384	-0.023
H7	-0.187	1.847	0.781
H8	-0.425	1.838	-0.955
H9	-1.796	1.613	0.128
C10	-0.538	-0.105	-0.072
C11	-1.477	-0.999	0.166
H12	-2.481	-0.699	0.402
H13	-1.263	-2.049	0.106

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0860	1.0803	1.0848	1.4018	2.9361	2.7935	3.1531	3.9631	2.3658	3.4210	4.3390	3.6711
H2	1.0860		1.7643	1.7694	2.0608	3.2030	2.8281	3.7133	4.1056	2.6291	3.4657	4.3012	3.6914
H3	1.0803	1.7643		1.7597	1.9987	3.9445	3.8537	4.0215	4.9803	3.2392	4.1703	5.1708	4.1945
H4	1.0848	1.7694	1.7597		2.0691	2.7452	2.4199	2.7281	3.8131	2.7510	3.9951	4.7824	4.4564
O5	1.4018	2.0608	1.9987	2.0691		2.4386	2.8229	2.6678	3.3403	1.3632	2.3116	3.2979	2.5444
C6	2.9361	3.2030	3.9445	2.7452	2.4386		1.0859	1.0860	1.0820	1.5043	2.4984	2.7415	3.4736
H7	2.7935	2.8281	3.8537	2.4199	2.8229	1.0859		1.7525	1.7523	2.1594	3.1850	3.4482	4.0985
H8	3.1531	3.7133	4.0215	2.7281	2.6678	1.0860	1.7525		1.7619	2.1370	3.2267	3.5361	4.1157
H9	3.9631	4.1056	4.9803	3.8131	3.3403	1.0820	1.7523	1.7619		2.1386	2.6313	2.4266	3.7008
C10	2.3658	2.6291	3.2392	2.7510	1.3632	1.5043	2.1594	2.1370	2.1386		1.3184	2.0862	2.0828
C11	3.4210	3.4657	4.1703	3.9951	2.3116	2.4984	3.1850	3.2267	2.6313	1.3184		1.0735	1.0738
H12	4.3390	4.3012	5.1708	4.7824	3.2979	2.7415	3.4482	3.5361	2.4266	2.0862	1.0735		1.8423
H13	3.6711	3.6914	4.1945	4.4564	2.5444	3.4736	4.0985	4.1157	3.7008	2.0828	1.0738	1.8423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.655	H2	C1	H3	109.062
H2	C1	H4	109.186	H2	C1	O5	111.229
H3	C1	H4	108.728	H3	C1	O5	106.549
H4	C1	O5	111.992	O5	C10	C6	116.434
O5	C10	C11	119.081	C6	C10	C11	124.397
H7	C6	H8	107.585	H7	C6	H9	107.860
H7	C6	C10	111.940	H8	C6	H9	108.719
H8	C6	C10	110.130	H9	C6	C10	110.494
C10	C11	H12	121.085	C10	C11	H13	120.725
H12	C11	H13	118.175

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
1	C	-0.174
2	H	0.154
3	H	0.184
4	H	0.152
5	O	-0.631
6	C	-0.542
7	H	0.174
8	H	0.184
9	H	0.184
10	C	0.443
11	C	-0.486
12	H	0.173
13	H	0.187

	x	y	z	Total
	0.548	1.370	1.027	1.797
CHELPG	0.527	1.365	1.003	1.774
AIM
ESP	0.526	1.387	1.018	1.799

	x	y	z
x	7.899	1.121	-0.429
y	1.121	7.077	-0.251
z	-0.429	-0.251	4.501

<r²>	127.063
(<r²>)^1/2	11.272

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-)