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	hartrees
Energy at 0K	-231.048755
Energy at 298.15K	-231.057563
HF Energy	-231.048755
Nuclear repulsion energy	181.583364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3394	3076	10.68
2	A	3307	2997	1.28
3	A	3265	2960	20.19
4	A	3262	2957	42.22
5	A	3216	2915	16.53
6	A	3211	2911	66.78
7	A	3168	2871	31.40
8	A	3154	2859	47.37
9	A	1855	1681	156.76
10	A	1632	1479	5.00
11	A	1625	1473	9.08
12	A	1614	1463	6.38
13	A	1605	1454	4.90
14	A	1597	1448	7.08
15	A	1554	1409	7.68
16	A	1527	1384	43.23
17	A	1419	1286	186.80
18	A	1315	1192	1.39
19	A	1282	1162	8.40
20	A	1234	1118	149.44
21	A	1163	1055	3.89
22	A	1109	1005	3.84
23	A	1014	919	17.76
24	A	1000	906	56.64
25	A	872	790	9.09
26	A	820	743	4.55
27	A	596	540	7.09
28	A	516	468	6.24
29	A	452	410	1.23
30	A	323	293	1.77
31	A	246	223	1.72
32	A	189	171	1.36
33	A	75	68	7.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.829	-0.039	0.191
H2	1.784	-0.018	1.274
H3	2.657	-0.658	-0.115
H4	1.983	0.962	-0.184
O5	0.673	-0.627	-0.346
C6	-0.687	1.392	-0.033
H7	-0.127	1.843	0.776
H8	-0.331	1.820	-0.963
H9	-1.725	1.657	0.092
C10	-0.546	-0.099	-0.051
C11	-1.546	-0.928	0.137
H12	-2.536	-0.558	0.308
H13	-1.390	-1.987	0.106

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0835	1.0782	1.0806	1.4032	2.9030	2.7765	3.0749	3.9394	2.3881	3.4904	4.3967	3.7630
H2	1.0835		1.7611	1.7675	2.0561	3.1306	2.7132	3.5853	4.0639	2.6817	3.6348	4.4593	3.9136
H3	1.0782	1.7611		1.7561	1.9974	3.9229	3.8467	3.9732	4.9604	3.2524	4.2195	5.2110	4.2653
H4	1.0806	1.7675	1.7561		2.0653	2.7079	2.4790	2.5874	3.7824	2.7457	4.0159	4.7923	4.4893
O5	1.4032	2.0561	1.9974	2.0653		2.4541	2.8281	2.7162	3.3407	1.3612	2.2913	3.2756	2.5119
C6	2.9030	3.1306	3.9229	2.7079	2.4541		1.0825	1.0840	1.0790	1.4976	2.4797	2.7083	3.4539
H7	2.7765	2.7132	3.8467	2.4790	2.8281	1.0825		1.7510	1.7484	2.1519	3.1782	3.4330	4.0882
H8	3.0749	3.5853	3.9732	2.5874	2.7162	1.0840	1.7510		1.7565	2.1361	3.2002	3.4831	4.0938
H9	3.9394	4.0639	4.9604	3.7824	3.3407	1.0790	1.7484	1.7565		2.1199	2.5915	2.3681	3.6594
C10	2.3881	2.6817	3.2524	2.7457	1.3612	1.4976	2.1519	2.1361	2.1199		1.3124	2.0729	2.0737
C11	3.4904	3.6348	4.2195	4.0159	2.2913	2.4797	3.1782	3.2002	2.5915	1.3124		1.0702	1.0710
H12	4.3967	4.4593	5.2110	4.7923	3.2756	2.7083	3.4330	3.4831	2.3681	2.0729	1.0702		1.8431
H13	3.7630	3.9136	4.2653	4.4893	2.5119	3.4539	4.0882	4.0938	3.6594	2.0737	1.0710	1.8431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	119.507	H2	C1	H3	109.114
H2	C1	H4	109.524	H2	C1	O5	110.903
H3	C1	H4	108.871	H3	C1	O5	106.478
H4	C1	O5	111.857	O5	C10	C6	118.208
O5	C10	C11	117.952	C6	C10	C11	123.751
H7	C6	H8	107.839	H7	C6	H9	107.971
H7	C6	C10	112.027	H8	C6	H9	108.594
H8	C6	C10	110.649	H9	C6	C10	109.655
C10	C11	H12	120.582	C10	C11	H13	120.602
H12	C11	H13	118.808

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

using model chemistry: HF/Def2TZVPP

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	0.014
2	H	0.061
3	H	0.083
4	H	0.056
5	O	-0.398
6	C	-0.146
7	H	0.063
8	H	0.073
9	H	0.074
10	C	0.196
11	C	-0.209
12	H	0.062
13	H	0.072

	x	y	z	Total
	0.673	1.456	0.799	1.792
CHELPG
AIM
ESP

	x	y	z
x	9.018	1.130	-0.206
y	1.130	7.995	-0.223
z	-0.206	-0.223	5.946

<r²>	126.995
(<r²>)^1/2	11.269

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

using model chemistry: HF/Def2TZVPP

States and conformations

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