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	hartrees
Energy at 0K	-232.337124
Energy at 298.15K	-232.345821
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3304	3165	6.37
2	A	3199	3065	0.19
3	A	3181	3048	9.77
4	A	3175	3041	25.48
5	A	3125	2993	13.04
6	A	3111	2980	36.97
7	A	3059	2930	22.62
8	A	3035	2907	55.56
9	A	1742	1668	145.30
10	A	1494	1431	2.81
11	A	1479	1417	13.03
12	A	1465	1403	22.43
13	A	1462	1400	3.62
14	A	1451	1390	10.82
15	A	1414	1355	8.40
16	A	1388	1330	60.39
17	A	1311	1256	154.53
18	A	1197	1146	0.24
19	A	1160	1111	16.42
20	A	1148	1100	90.76
21	A	1048	1004	1.39
22	A	1013	970	3.94
23	A	934	895	5.82
24	A	859	823	57.37
25	A	825	790	11.91
26	A	734	703	3.06
27	A	540	517	6.98
28	A	482	462	3.19
29	A	423	405	1.09
30	A	348	334	0.82
31	A	281	269	0.68
32	A	221	212	1.66
33	A	88	85	6.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.819	-0.095	0.150
H2	1.827	0.075	1.235
H3	2.630	-0.780	-0.108
H4	1.980	0.858	-0.369
O5	0.627	-0.731	-0.263
C6	-0.537	1.414	-0.037
H7	0.058	1.820	0.790
H8	-0.110	1.797	-0.972
H9	-1.556	1.793	0.061
C10	-0.555	-0.081	-0.033
C11	-1.660	-0.817	0.112
H12	-2.627	-0.337	0.218
H13	-1.611	-1.901	0.101

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0988	1.0921	1.0974	1.4126	2.8041	2.6797	2.9261	3.8686	2.3813	3.5536	4.4533	3.8768
H2	1.0988		1.7832	1.7919	2.0821	2.9998	2.5244	3.4044	3.9719	2.7032	3.7710	4.5876	4.1250
H3	1.0921	1.7832		1.7812	2.0101	3.8533	3.7659	3.8596	4.9166	3.2622	4.2965	5.2862	4.3922
H4	1.0974	1.7919	1.7812		2.0897	2.5991	2.4425	2.3693	3.6832	2.7247	4.0361	4.7960	4.5533
O5	1.4126	2.0821	2.0101	2.0897		2.4503	2.8176	2.7271	3.3523	1.3684	2.3193	3.3128	2.5517
C6	2.8041	2.9998	3.8533	2.5991	2.4503		1.0966	1.0976	1.0920	1.4949	2.5020	2.7385	3.4876
H7	2.6797	2.5244	3.7659	2.4425	2.8176	1.0966		1.7704	1.7714	2.1601	3.2194	3.4913	4.1363
H8	2.9261	3.4044	3.8596	2.3693	2.7271	1.0976	1.7704		1.7778	2.1472	3.2272	3.5087	4.1337
H9	3.8686	3.9719	4.9166	3.6832	3.3523	1.0920	1.7714	1.7778		2.1263	2.6120	2.3888	3.6946
C10	2.3813	2.7032	3.2622	2.7247	1.3684	1.4949	2.1601	2.1472	2.1263		1.3355	2.1027	2.1087
C11	3.5536	3.7710	4.2965	4.0361	2.3193	2.5020	3.2194	3.2272	2.6120	1.3355		1.0845	1.0858
H12	4.4533	4.5876	5.2862	4.7960	3.3128	2.7385	3.4913	3.5087	2.3888	2.1027	1.0845		1.8691
H13	3.8768	4.1250	4.3922	4.5533	2.5517	3.4876	4.1363	4.1337	3.6946	2.1087	1.0858	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.794	H2	C1	H3	108.958
H2	C1	H4	109.349	H2	C1	O5	111.395
H3	C1	H4	108.879	H3	C1	O5	106.036
H4	C1	O5	112.107	O5	C10	C6	117.621
O5	C10	C11	118.127	C6	C10	C11	124.154
H7	C6	H8	107.580	H7	C6	H9	108.073
H7	C6	C10	112.010	H8	C6	H9	108.575
H8	C6	C10	110.911	H9	C6	C10	109.581
C10	C11	H12	120.298	C10	C11	H13	120.779
H12	C11	H13	118.907

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

using model chemistry: B1B95/aug-cc-pVDZ

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	0.952
2	H	-0.187
3	H	-0.413
4	H	-0.170
5	O	-0.621
6	C	0.477
7	H	0.003
8	H	-0.025
9	H	-0.377
10	C	0.386
11	C	1.055
12	H	-0.529
13	H	-0.551

	x	y	z	Total
	0.961	1.610	0.416	1.921
CHELPG
AIM
ESP

	x	y	z
x	10.561	0.990	-0.108
y	0.990	8.610	-0.108
z	-0.108	-0.108	6.711

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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