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	hartrees
Energy at 0K	-232.318992
Energy at 298.15K	-232.327683
Nuclear repulsion energy	180.598690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3152	7.39
2	A	3203	3058	0.22
3	A	3178	3034	11.45
4	A	3165	3022	26.88
5	A	3121	2980	15.46
6	A	3098	2958	47.38
7	A	3058	2920	21.17
8	A	3029	2892	54.47
9	A	1757	1677	115.13
10	A	1528	1459	2.07
11	A	1514	1445	13.97
12	A	1500	1432	16.15
13	A	1492	1424	3.22
14	A	1489	1422	5.34
15	A	1434	1369	10.59
16	A	1414	1350	45.80
17	A	1328	1268	177.28
18	A	1215	1160	0.45
19	A	1178	1124	11.21
20	A	1157	1105	86.01
21	A	1067	1019	2.37
22	A	1025	979	4.02
23	A	938	896	5.11
24	A	848	809	57.66
25	A	827	790	8.60
26	A	743	709	1.81
27	A	540	516	5.34
28	A	483	461	3.46
29	A	425	406	0.82
30	A	355	339	0.58
31	A	286	273	0.56
32	A	221	211	2.05
33	A	87	83	6.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.818	-0.090	0.157
H2	1.833	0.050	1.244
H3	2.636	-0.755	-0.121
H4	1.977	0.880	-0.327
O5	0.634	-0.721	-0.277
C6	-0.555	1.413	-0.037
H7	0.034	1.828	0.786
H8	-0.134	1.805	-0.969
H9	-1.574	1.784	0.061
C10	-0.554	-0.084	-0.036
C11	-1.649	-0.830	0.117
H12	-2.620	-0.367	0.227
H13	-1.585	-1.911	0.108

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0967	1.0898	1.0955	1.4104	2.8159	2.6936	2.9439	3.8770	2.3802	3.5453	4.4471	3.8603
H2	1.0967		1.7769	1.7830	2.0846	3.0333	2.5697	3.4414	4.0018	2.7118	3.7635	4.5860	4.1010
H3	1.0898	1.7769		1.7749	2.0083	3.8585	3.7763	3.8652	4.9197	3.2605	4.2914	5.2809	4.3821
H4	1.0955	1.7830	1.7749		2.0904	2.6037	2.4314	2.3920	3.6851	2.7242	4.0333	4.7950	4.5461
O5	1.4104	2.0846	2.0083	2.0904		2.4542	2.8254	2.7286	3.3560	1.3687	2.3185	3.3109	2.5470
C6	2.8159	3.0333	3.8585	2.6037	2.4542		1.0943	1.0948	1.0892	1.4974	2.5004	2.7389	3.4827
H7	2.6936	2.5697	3.7763	2.4314	2.8254	1.0943		1.7632	1.7652	2.1629	3.2161	3.4890	4.1301
H8	2.9439	3.4414	3.8652	2.3920	2.7286	1.0948	1.7632		1.7711	2.1483	3.2276	3.5110	4.1315
H9	3.8770	4.0018	4.9197	3.6851	3.3560	1.0892	1.7652	1.7711		2.1310	2.6158	2.3974	3.6948
C10	2.3802	2.7118	3.2605	2.7242	1.3687	1.4974	2.1629	2.1483	2.1310		1.3334	2.1014	2.1022
C11	3.5453	3.7635	4.2914	4.0333	2.3185	2.5004	3.2161	3.2276	2.6158	1.3334		1.0813	1.0823
H12	4.4471	4.5860	5.2809	4.7950	3.3109	2.7389	3.4890	3.5110	2.3974	2.1014	1.0813		1.8617
H13	3.8603	4.1010	4.3821	4.5461	2.5470	3.4827	4.1301	4.1315	3.6948	2.1022	1.0823	1.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.834	H2	C1	H3	108.721
H2	C1	H4	108.847	H2	C1	O5	111.892
H3	C1	H4	108.619	H3	C1	O5	106.174
H4	C1	O5	112.454	O5	C10	C6	117.731
O5	C10	C11	118.195	C6	C10	C11	123.982
H7	C6	H8	107.312	H7	C6	H9	107.880
H7	C6	C10	112.199	H8	C6	H9	108.376
H8	C6	C10	110.990	H9	C6	C10	109.941
C10	C11	H12	120.619	C10	C11	H13	120.624
H12	C11	H13	118.737

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

using model chemistry: B1B95/6-31G**

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	-0.118
2	H	0.120
3	H	0.139
4	H	0.116
5	O	-0.490
6	C	-0.428
7	H	0.136
8	H	0.143
9	H	0.139
10	C	0.363
11	C	-0.340
12	H	0.104
13	H	0.116

	x	y	z	Total
	0.927	1.586	0.486	1.900
CHELPG
AIM
ESP

	x	y	z
x	9.045	0.955	-0.243
y	0.955	7.165	-0.127
z	-0.243	-0.127	4.640

<r²>	127.647
(<r²>)^1/2	11.298

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

using model chemistry: B1B95/6-31G**

States and conformations

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