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	hartrees
Energy at 0K	-232.122582
Energy at 298.15K	-232.130962
Nuclear repulsion energy	178.859483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3161	8.27
2	A	3124	3073	0.51
3	A	3090	3039	10.14
4	A	3082	3031	26.70
5	A	3031	2981	18.25
6	A	3008	2958	47.36
7	A	2977	2928	23.03
8	A	2946	2898	60.68
9	A	1688	1660	99.25
10	A	1488	1463	8.16
11	A	1480	1455	11.35
12	A	1467	1443	14.56
13	A	1458	1434	5.03
14	A	1453	1429	3.43
15	A	1402	1379	5.71
16	A	1380	1357	27.12
17	A	1279	1258	176.69
18	A	1177	1158	1.14
19	A	1140	1121	3.72
20	A	1103	1085	91.65
21	A	1044	1026	2.29
22	A	996	979	3.57
23	A	911	896	4.54
24	A	797	784	19.24
25	A	792	779	45.84
26	A	712	700	3.92
27	A	519	511	6.32
28	A	465	457	2.24
29	A	411	404	0.67
30	A	306	301	0.93
31	A	240	236	0.66
32	A	195	192	1.68
33	A	80	79	5.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.839	-0.085	0.150
H2	1.861	0.085	1.244
H3	2.656	-0.772	-0.118
H4	2.004	0.879	-0.367
O5	0.640	-0.733	-0.265
C6	-0.564	1.424	-0.037
H7	0.032	1.851	0.790
H8	-0.149	1.826	-0.979
H9	-1.595	1.794	0.069
C10	-0.558	-0.083	-0.033
C11	-1.664	-0.838	0.113
H12	-2.646	-0.373	0.209
H13	-1.602	-1.929	0.108

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1078	1.1005	1.1066	1.4254	2.8444	2.7247	2.9803	3.9158	2.4039	3.5832	4.4954	3.9038
H2	1.1078		1.7956	1.8019	2.1070	3.0519	2.5821	3.4662	4.0303	2.7399	3.8147	4.6472	4.1633
H3	1.1005	1.7956		1.7928	2.0225	3.8991	3.8198	3.9196	4.9694	3.2882	4.3267	5.3278	4.4179
H4	1.1066	1.8019	1.7928		2.1150	2.6464	2.4843	2.4307	3.7393	2.7570	4.0785	4.8507	4.5949
O5	1.4254	2.1070	2.0225	2.1150		2.4812	2.8567	2.7720	3.3902	1.3823	2.3366	3.3395	2.5673
C6	2.8444	3.0519	3.8991	2.6464	2.4812		1.1053	1.1059	1.1002	1.5069	2.5198	2.7615	3.5128
H7	2.7247	2.5821	3.8198	2.4843	2.8567	1.1053		1.7789	1.7808	2.1827	3.2504	3.5299	4.1738
H8	2.9803	3.4662	3.9196	2.4307	2.7720	1.1059	1.7789		1.7866	2.1698	3.2540	3.5338	4.1707
H9	3.9158	4.0303	4.9694	3.7393	3.3902	1.1002	1.7808	1.7866		2.1468	2.6334	2.4128	3.7231
C10	2.4039	2.7399	3.2882	2.7570	1.3823	1.5069	2.1827	2.1698	2.1468		1.3473	2.1226	2.1255
C11	3.5832	3.8147	4.3267	4.0785	2.3366	2.5198	3.2504	3.2540	2.6334	1.3473		1.0914	1.0925
H12	4.4954	4.6472	5.3278	4.8507	3.3395	2.7615	3.5299	3.5338	2.4128	2.1226	1.0914		1.8768
H13	3.9038	4.1633	4.4179	4.5949	2.5673	3.5128	4.1738	4.1707	3.7231	2.1255	1.0925	1.8768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.776	H2	C1	H3	108.798
H2	C1	H4	108.929	H2	C1	O5	111.953
H3	C1	H4	108.643	H3	C1	O5	105.673
H4	C1	O5	112.694	O5	C10	C6	118.295
O5	C10	C11	117.733	C6	C10	C11	123.873
H7	C6	H8	107.122	H7	C6	H9	107.693
H7	C6	C10	112.442	H8	C6	H9	108.161
H8	C6	C10	111.368	H9	C6	C10	109.878
C10	C11	H12	120.650	C10	C11	H13	120.831
H12	C11	H13	118.492

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

using model chemistry: PBEPBEultrafine/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	-0.270
2	H	0.158
3	H	0.179
4	H	0.156
5	O	-0.431
6	C	-0.578
7	H	0.174
8	H	0.178
9	H	0.180
10	C	0.406
11	C	-0.441
12	H	0.141
13	H	0.149

	x	y	z	Total
	0.981	1.536	0.419	1.870
CHELPG
AIM
ESP

	x	y	z
x	9.352	0.960	-0.225
y	0.960	7.335	-0.124
z	-0.225	-0.124	4.654

<r²>	129.946
(<r²>)^1/2	11.399

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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