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	hartrees
Energy at 0K	-232.370731
Energy at 298.15K	-232.379151
HF Energy	-232.370731
Nuclear repulsion energy	179.536197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3159	9.45
2	A	3110	3069	1.33
3	A	3077	3037	11.15
4	A	3072	3032	31.40
5	A	3021	2982	20.16
6	A	3006	2967	43.58
7	A	2971	2932	29.14
8	A	2945	2907	64.79
9	A	1662	1640	128.58
10	A	1479	1460	4.05
11	A	1472	1453	12.62
12	A	1459	1440	16.86
13	A	1449	1430	4.64
14	A	1448	1429	2.57
15	A	1396	1378	3.22
16	A	1374	1356	23.08
17	A	1259	1243	172.58
18	A	1180	1165	0.55
19	A	1144	1130	4.41
20	A	1079	1065	128.13
21	A	1039	1026	1.13
22	A	996	983	5.16
23	A	908	896	8.04
24	A	814	803	55.55
25	A	784	773	8.96
26	A	714	705	4.42
27	A	524	517	7.89
28	A	472	465	2.68
29	A	421	415	0.95
30	A	307	303	1.28
31	A	225	222	0.54
32	A	199	196	1.66
33	A	74	73	5.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.840	-0.082	0.157
H2	1.828	0.096	1.240
H3	2.648	-0.775	-0.083
H4	2.019	0.866	-0.365
O5	0.641	-0.718	-0.278
C6	-0.574	1.418	-0.037
H7	0.009	1.839	0.790
H8	-0.156	1.816	-0.969
H9	-1.601	1.775	0.061
C10	-0.558	-0.085	-0.035
C11	-1.651	-0.844	0.117
H12	-2.626	-0.385	0.224
H13	-1.585	-1.926	0.109

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0982	1.0915	1.0969	1.4258	2.8493	2.7284	2.9754	3.9115	2.4061	3.5740	4.4776	3.8907
H2	1.0982		1.7840	1.7910	2.0922	3.0254	2.5596	3.4320	3.9964	2.7116	3.7751	4.5944	4.1253
H3	1.0915	1.7840		1.7809	2.0180	3.8987	3.8161	3.9196	4.9580	3.2803	4.3048	5.2981	4.3913
H4	1.0969	1.7910	1.7809		2.1020	2.6714	2.5136	2.4484	3.7562	2.7667	4.0775	4.8467	4.5839
O5	1.4258	2.0922	2.0180	2.1020		2.4694	2.8421	2.7448	3.3698	1.3773	2.3290	3.3220	2.5618
C6	2.8493	3.0254	3.8987	2.6714	2.4694		1.0959	1.0968	1.0912	1.5032	2.5099	2.7440	3.4968
H7	2.7284	2.5596	3.8161	2.5136	2.8421	1.0959		1.7672	1.7686	2.1686	3.2260	3.4946	4.1451
H8	2.9754	3.4320	3.9196	2.4484	2.7448	1.0968	1.7672		1.7753	2.1560	3.2389	3.5172	4.1483
H9	3.9115	3.9964	4.9580	3.7562	3.3698	1.0912	1.7686	1.7753		2.1345	2.6199	2.3965	3.7016
C10	2.4061	2.7116	3.2803	2.7667	1.3773	1.5032	2.1686	2.1560	2.1345		1.3394	2.1059	2.1132
C11	3.5740	3.7751	4.3048	4.0775	2.3290	2.5099	3.2260	3.2389	2.6199	1.3394		1.0831	1.0844
H12	4.4776	4.5944	5.2981	4.8467	3.3220	2.7440	3.4946	3.5172	2.3965	2.1059	1.0831		1.8637
H13	3.8907	4.1253	4.3913	4.5839	2.5618	3.4968	4.1451	4.1483	3.7016	2.1132	1.0844	1.8637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.232	H2	C1	H3	109.081
H2	C1	H4	109.275	H2	C1	O5	111.114
H3	C1	H4	108.780	H3	C1	O5	106.154
H4	C1	O5	112.327	O5	C10	C6	118.004
O5	C10	C11	117.897	C6	C10	C11	123.952
H7	C6	H8	107.514	H7	C6	H9	107.826
H7	C6	C10	112.266	H8	C6	H9	108.500
H8	C6	C10	110.926	H9	C6	C10	109.679
C10	C11	H12	120.558	C10	C11	H13	120.832
H12	C11	H13	118.586

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.033
2	H	0.117
3	H	0.107
4	H	0.116
5	O	-0.628
6	C	-0.397
7	H	0.145
8	H	0.146
9	H	0.114
10	C	0.601
11	C	-0.530
12	H	0.118
13	H	0.125

	x	y	z	Total
	0.991	1.577	0.423	1.910
CHELPG
AIM
ESP

	x	y	z
x	10.875	1.022	-0.107
y	1.022	8.869	-0.108
z	-0.107	-0.108	6.883

<r²>	129.724
(<r²>)^1/2	11.390

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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