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	hartrees
Energy at 0K	-230.855102
Energy at 298.15K	-230.863452
Nuclear repulsion energy	177.126004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3187	6.57
2	A	3124	3095	0.05
3	A	3085	3057	7.69
4	A	3076	3048	22.11
5	A	3028	3000	19.96
6	A	3006	2978	40.35
7	A	2977	2950	18.18
8	A	2947	2921	46.64
9	A	1673	1658	91.45
10	A	1524	1511	9.43
11	A	1515	1502	18.27
12	A	1500	1486	27.17
13	A	1496	1483	3.99
14	A	1457	1444	0.01
15	A	1424	1411	2.74
16	A	1410	1397	15.39
17	A	1258	1246	148.72
18	A	1151	1141	15.19
19	A	1111	1101	3.02
20	A	1066	1056	5.77
21	A	1051	1041	89.02
22	A	1020	1011	2.49
23	A	899	891	2.97
24	A	831	823	81.69
25	A	757	751	7.20
26	A	711	705	1.79
27	A	512	508	7.43
28	A	466	461	3.13
29	A	413	409	0.68
30	A	291	289	1.53
31	A	238	236	0.36
32	A	192	190	2.86
33	A	62	61	5.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.875	-0.072	0.123
H2	1.925	0.198	1.196
H3	2.678	-0.787	-0.108
H4	2.018	0.842	-0.483
O5	0.636	-0.786	-0.213
C6	-0.550	1.427	-0.036
H7	0.029	1.835	0.814
H8	-0.095	1.811	-0.968
H9	-1.579	1.812	0.034
C10	-0.574	-0.086	-0.027
C11	-1.706	-0.805	0.096
H12	-2.676	-0.313	0.169
H13	-1.667	-1.895	0.102

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1068	1.1003	1.1058	1.4691	2.8551	2.7428	2.9353	3.9351	2.4532	3.6548	4.5571	3.9835
H2	1.1068		1.7992	1.8007	2.1478	3.0254	2.5344	3.3712	4.0289	2.7962	3.9236	4.7414	4.2984
H3	1.1003	1.7992		1.7971	2.0450	3.9153	3.8403	3.8961	4.9899	3.3277	4.3887	5.3821	4.4892
H4	1.1058	1.8007	1.7971		2.1525	2.6712	2.5744	2.3744	3.7609	2.7900	4.1121	4.8772	4.6269
O5	1.4691	2.1478	2.0450	2.1525		2.5176	2.8805	2.8021	3.4234	1.4102	2.3620	3.3670	2.5751
C6	2.8551	3.0254	3.9153	2.6712	2.5176		1.1062	1.1061	1.1008	1.5136	2.5171	2.7551	3.5078
H7	2.7428	2.5344	3.8403	2.5744	2.8805	1.1062		1.7869	1.7869	2.1822	3.2394	3.5137	4.1590
H8	2.9353	3.3712	3.8961	2.3744	2.8021	1.1061	1.7869		1.7907	2.1711	3.2511	3.5306	4.1655
H9	3.9351	4.0289	4.9899	3.7609	3.4234	1.1008	1.7869	1.7907		2.1488	2.6209	2.3956	3.7090
C10	2.4532	2.7962	3.3277	2.7900	1.4102	1.5136	2.1822	2.1711	2.1488		1.3465	2.1232	2.1176
C11	3.6548	3.9236	4.3887	4.1121	2.3620	2.5171	3.2394	3.2511	2.6209	1.3465		1.0899	1.0909
H12	4.5571	4.7414	5.3821	4.8772	3.3670	2.7551	3.5137	3.5306	2.3956	2.1232	1.0899		1.8773
H13	3.9835	4.2984	4.4892	4.6269	2.5751	3.5078	4.1590	4.1655	3.7090	2.1176	1.0909	1.8773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	116.850	H2	C1	H3	109.206
H2	C1	H4	108.940	H2	C1	O5	112.217
H3	C1	H4	109.095	H3	C1	O5	104.566
H4	C1	O5	112.668	O5	C10	C6	118.839
O5	C10	C11	117.906	C6	C10	C11	123.200
H7	C6	H8	107.745	H7	C6	H9	108.126
H7	C6	C10	111.874	H8	C6	H9	108.460
H8	C6	C10	110.985	H9	C6	C10	109.541
C10	C11	H12	120.896	C10	C11	H13	120.273
H12	C11	H13	118.817

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

using model chemistry: PBEPBE/3-21G

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	-0.388
2	H	0.204
3	H	0.231
4	H	0.204
5	O	-0.464
6	C	-0.666
7	H	0.219
8	H	0.223
9	H	0.225
10	C	0.272
11	C	-0.444
12	H	0.185
13	H	0.200

	x	y	z	Total
	1.161	1.777	0.403	2.161
CHELPG
AIM
ESP

	x	y	z
x	9.205	0.941	-0.192
y	0.941	6.774	-0.088
z	-0.192	-0.088	4.048

<r²>	132.117
(<r²>)^1/2	11.494

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

using model chemistry: PBEPBE/3-21G

States and conformations

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