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	hartrees
Energy at 0K	-229.404231
Energy at 298.15K	-229.412466
Nuclear repulsion energy	177.360072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3178	0.35
2	A	3518	3107	0.03
3	A	3487	3079	0.25
4	A	3469	3063	0.88
5	A	3438	3036	36.26
6	A	3428	3027	5.76
7	A	3331	2942	0.47
8	A	3273	2890	12.67
9	A	1864	1646	57.08
10	A	1685	1488	5.32
11	A	1667	1472	5.56
12	A	1657	1464	15.49
13	A	1649	1456	2.40
14	A	1590	1404	3.80
15	A	1564	1381	4.25
16	A	1540	1359	14.12
17	A	1424	1258	122.25
18	A	1248	1102	0.10
19	A	1193	1053	25.34
20	A	1176	1039	1.58
21	A	1148	1014	3.34
22	A	1096	968	1.59
23	A	990	874	1.60
24	A	893	789	37.47
25	A	837	739	4.74
26	A	763	674	0.42
27	A	549	485	2.92
28	A	494	436	0.64
29	A	425	375	0.24
30	A	349	309	0.19
31	A	259	229	0.17
32	A	204	181	1.02
33	A	53	47	2.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.841	-0.068	0.072
H2	1.907	0.368	1.088
H3	2.679	-0.774	-0.062
H4	1.945	0.748	-0.669
O5	0.627	-0.860	-0.122
C6	-0.500	1.442	-0.025
H7	0.089	1.834	0.816
H8	-0.053	1.816	-0.958
H9	-1.519	1.839	0.052
C10	-0.561	-0.088	-0.011
C11	-1.721	-0.763	0.056
H12	-2.674	-0.237	0.097
H13	-1.742	-1.854	0.061

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1078	1.1039	1.1067	1.4619	2.7875	2.6903	2.8634	3.8636	2.4030	3.6291	4.5182	4.0027
H2	1.1078		1.7946	1.7976	2.1472	2.8617	2.3510	3.1825	3.8703	2.7398	3.9381	4.7264	4.3939
H3	1.1039	1.7946		1.7951	2.0550	3.8755	3.7783	3.8701	4.9464	3.3122	4.4021	5.3828	4.5527
H4	1.1067	1.7976	1.7951		2.1492	2.6218	2.6126	2.2841	3.7027	2.7220	4.0307	4.7844	4.5704
O5	1.4619	2.1472	2.0550	2.1492		2.5647	2.9021	2.8848	3.4523	1.4207	2.3570	3.3667	2.5753
C6	2.7875	2.8617	3.8755	2.6218	2.5647		1.0994	1.1001	1.0965	1.5315	2.5217	2.7495	3.5227
H7	2.6903	2.3510	3.7783	2.6126	2.9021	1.0994		1.7801	1.7810	2.1907	3.2552	3.5272	4.1855
H8	2.8634	3.1825	3.8701	2.2841	2.8848	1.1001	1.7801		1.7807	2.1869	3.2347	3.4925	4.1660
H9	3.8636	3.8703	4.9464	3.7027	3.4523	1.0965	1.7810	1.7807		2.1531	2.6094	2.3755	3.6989
C10	2.4030	2.7398	3.3122	2.7220	1.4207	1.5315	2.1907	2.1869	2.1531		1.3440	2.1214	2.1251
C11	3.6291	3.9381	4.4021	4.0307	2.3570	2.5217	3.2552	3.2347	2.6094	1.3440		1.0894	1.0909
H12	4.5182	4.7264	5.3828	4.7844	3.3667	2.7495	3.5272	3.4925	2.3755	2.1214	1.0894		1.8668
H13	4.0027	4.3939	4.5527	4.5704	2.5753	3.5227	4.1855	4.1660	3.6989	2.1251	1.0909	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	112.939	H2	C1	H3	108.467
H2	C1	H4	108.537	H2	C1	O5	112.623
H3	C1	H4	108.591	H3	C1	O5	105.587
H4	C1	O5	112.857	O5	C10	C6	120.579
O5	C10	C11	116.950	C6	C10	C11	122.426
H7	C6	H8	108.060	H7	C6	H9	108.402
H7	C6	C10	111.697	H8	C6	H9	108.331
H8	C6	C10	111.347	H9	C6	C10	108.906
C10	C11	H12	120.984	C10	C11	H13	121.222
H12	C11	H13	117.790

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

using model chemistry: B1B95/STO-3G

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	-0.130
2	H	0.082
3	H	0.093
4	H	0.083
5	O	-0.174
6	C	-0.241
7	H	0.085
8	H	0.086
9	H	0.093
10	C	0.081
11	C	-0.206
12	H	0.072
13	H	0.077

	x	y	z	Total
	0.970	1.552	0.159	1.837
CHELPG
AIM
ESP

	x	y	z
x	6.028	0.644	-0.096
y	0.644	3.868	-0.020
z	-0.096	-0.020	1.976

<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/STO-3G

States and conformations

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