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	hartrees
Energy at 0K	-232.371209
Energy at 298.15K	-232.379908
Nuclear repulsion energy	180.827446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3146	7.73
2	A	3180	3053	0.44
3	A	3158	3032	11.12
4	A	3151	3025	29.45
5	A	3101	2977	16.22
6	A	3081	2958	48.89
7	A	3043	2922	22.54
8	A	3016	2896	54.76
9	A	1737	1667	127.85
10	A	1514	1454	2.62
11	A	1501	1441	14.21
12	A	1487	1428	15.60
13	A	1480	1421	7.57
14	A	1477	1418	7.47
15	A	1421	1364	13.59
16	A	1401	1345	37.84
17	A	1315	1262	176.29
18	A	1209	1161	0.55
19	A	1172	1125	8.32
20	A	1145	1099	98.85
21	A	1062	1019	1.79
22	A	1018	977	4.38
23	A	933	896	6.02
24	A	849	815	59.75
25	A	822	789	9.79
26	A	741	711	3.10
27	A	540	519	7.04
28	A	483	464	3.37
29	A	422	406	1.06
30	A	350	336	0.61
31	A	280	269	0.63
32	A	221	212	2.01
33	A	89	86	6.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.817	-0.088	0.162
H2	1.819	0.041	1.250
H3	2.633	-0.752	-0.115
H4	1.977	0.884	-0.314
O5	0.634	-0.715	-0.286
C6	-0.559	1.410	-0.038
H7	0.027	1.823	0.787
H8	-0.136	1.801	-0.968
H9	-1.578	1.777	0.058
C10	-0.553	-0.085	-0.038
C11	-1.643	-0.832	0.121
H12	-2.613	-0.373	0.236
H13	-1.572	-1.911	0.109

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0951	1.0878	1.0940	1.4114	2.8155	2.6917	2.9420	3.8748	2.3784	3.5388	4.4396	3.8486
H2	1.0951		1.7754	1.7838	2.0812	3.0307	2.5691	3.4400	3.9967	2.7017	3.7438	4.5650	4.0755
H3	1.0878	1.7754		1.7731	2.0064	3.8556	3.7726	3.8611	4.9150	3.2560	4.2828	5.2713	4.3678
H4	1.0940	1.7838	1.7731		2.0882	2.6049	2.4289	2.3944	3.6850	2.7240	4.0299	4.7913	4.5377
O5	1.4114	2.0812	2.0064	2.0882		2.4496	2.8215	2.7178	3.3499	1.3667	2.3158	3.3066	2.5407
C6	2.8155	3.0307	3.8556	2.6049	2.4496		1.0929	1.0935	1.0877	1.4957	2.4961	2.7344	3.4757
H7	2.6917	2.5691	3.7726	2.4289	2.8215	1.0929		1.7625	1.7638	2.1586	3.2069	3.4783	4.1186
H8	2.9420	3.4400	3.8611	2.3944	2.7178	1.0935	1.7625		1.7700	2.1441	3.2235	3.5091	4.1233
H9	3.8748	3.9967	4.9150	3.6850	3.3499	1.0877	1.7638	1.7700		2.1280	2.6112	2.3931	3.6885
C10	2.3784	2.7017	3.2560	2.7240	1.3667	1.4957	2.1586	2.1441	2.1280		1.3304	2.0978	2.0959
C11	3.5388	3.7438	4.2828	4.0299	2.3158	2.4961	3.2069	3.2235	2.6112	1.3304		1.0798	1.0809
H12	4.4396	4.5650	5.2713	4.7913	3.3066	2.7344	3.4783	3.5091	2.3931	2.0978	1.0798		1.8613
H13	3.8486	4.0755	4.3678	4.5377	2.5407	3.4757	4.1186	4.1233	3.6885	2.0959	1.0809	1.8613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.763	H2	C1	H3	108.838
H2	C1	H4	109.137	H2	C1	O5	111.644
H3	C1	H4	108.719	H3	C1	O5	106.079
H4	C1	O5	112.296	O5	C10	C6	117.623
O5	C10	C11	118.323	C6	C10	C11	123.962
H7	C6	H8	107.437	H7	C6	H9	107.975
H7	C6	C10	112.067	H8	C6	H9	108.478
H8	C6	C10	110.848	H9	C6	C10	109.909
C10	C11	H12	120.650	C10	C11	H13	120.377
H12	C11	H13	118.950

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

using model chemistry: B1B95/6-311G**

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	-0.178
2	H	0.120
3	H	0.136
4	H	0.118
5	O	-0.328
6	C	-0.357
7	H	0.140
8	H	0.149
9	H	0.136
10	C	0.110
11	C	-0.279
12	H	0.110
13	H	0.124

	x	y	z	Total
	0.958	1.620	0.498	1.947
CHELPG
AIM
ESP

	x	y	z
x	9.479	1.018	-0.199
y	1.018	7.605	-0.143
z	-0.199	-0.143	5.244

<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: B1B95/6-311G**

States and conformations

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