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	hartrees
Energy at 0K	-269.242938
Energy at 298.15K	-269.252494
Nuclear repulsion energy	197.529369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3067	3036	5.29
2	A	2996	2966	60.57
3	A	2921	2891	4.02
4	A	2907	2877	73.94
5	A	1466	1451	5.17
6	A	1441	1426	0.98
7	A	1430	1415	3.52
8	A	1409	1394	0.14
9	A	1289	1275	0.43
10	A	1166	1154	18.85
11	A	1140	1128	13.29
12	A	1110	1098	65.48
13	A	919	910	3.87
14	A	586	580	4.15
15	A	310	307	3.41
16	A	159	158	0.01
17	A	107	106	1.90
18	B	3067	3035	36.38
19	B	2995	2964	7.53
20	B	2964	2933	43.50
21	B	2919	2889	105.58
22	B	1459	1444	6.25
23	B	1432	1417	2.02
24	B	1428	1414	8.91
25	B	1376	1362	12.05
26	B	1213	1201	14.79
27	B	1139	1128	1.47
28	B	1111	1099	129.34
29	B	1036	1025	185.89
30	B	929	920	65.76
31	B	443	438	4.11
32	B	213	210	14.87
33	B	152	150	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.724	0.555	1.559
H3	0.724	-0.555	1.559
O4	0.789	0.880	0.162
O5	-0.789	-0.880	0.162
C6	0.000	1.820	-0.562
C7	0.000	-1.820	-0.562
H8	0.697	2.449	-1.135
H9	-0.697	-2.449	-1.135
H10	-0.699	1.318	-1.255
H11	-0.588	2.463	0.124
H12	0.699	-1.318	-1.255
H13	0.588	-2.463	0.124

	C1	H2	H3	O4	O5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.1092	1.1092	1.4084	1.4084	2.3516	2.3516	3.2769	3.2769	2.6445	2.6570	2.6445	2.6570
H2	1.1092		1.8240	2.0846	2.0043	2.5733	3.2653	3.5864	4.0354	2.9165	2.3915	3.6683	3.5905
H3	1.1092	1.8240		2.0043	2.0846	3.2653	2.5733	4.0354	3.5864	3.6683	3.5905	2.9165	2.3915
O4	1.4084	2.0846	2.0043		2.3637	1.4241	2.9042	2.0375	3.8694	2.1009	2.0984	2.6173	3.3497
O5	1.4084	2.0043	2.0846	2.3637		2.9042	1.4241	3.8694	2.0375	2.6173	3.3497	2.1009	2.0984
C6	2.3516	2.5733	3.2653	1.4241	2.9042		3.6391	1.1000	4.3629	1.1049	1.1095	3.2888	4.3771
C7	2.3516	3.2653	2.5733	2.9042	1.4241	3.6391		4.3629	1.1000	3.2888	4.3771	1.1049	1.1095
H8	3.2769	3.5864	4.0354	2.0375	3.8694	1.1000	4.3629		5.0925	1.8002	1.7989	3.7694	5.0723
H9	3.2769	4.0354	3.5864	3.8694	2.0375	4.3629	1.1000	5.0925		3.7694	5.0723	1.8002	1.7989
H10	2.6445	2.9165	3.6683	2.1009	2.6173	1.1049	3.2888	1.8002	3.7694		1.7961	2.9844	4.2262
H11	2.6570	2.3915	3.5905	2.0984	3.3497	1.1095	4.3771	1.7989	5.0723	1.7961		4.2262	5.0650
H12	2.6445	3.6683	2.9165	2.6173	2.1009	3.2888	1.1049	3.7694	1.8002	2.9844	4.2262		1.7961
H13	2.6570	3.5905	2.3915	3.3497	2.0984	4.3771	1.1095	5.0723	1.7989	4.2262	5.0650	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C6	112.241	C1	O5	C7	112.241
H2	C1	H3	110.607	H2	C1	O4	111.229
H2	C1	O5	104.899	H3	C1	O4	104.899
H3	C1	O5	111.229	O4	C1	O5	114.100
O4	C6	H8	106.946	O4	C6	H10	111.724
O4	C6	H11	111.231	O5	C7	H9	106.946
O5	C7	H12	111.724	O5	C7	H13	111.231
H8	C6	H10	109.469	H8	C6	H11	109.014
H9	C7	H12	109.469	H9	C7	H13	109.014
H10	C6	H11	108.412	H12	C7	H13	108.412

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.023
2	H	0.101
3	H	0.101
4	O	-0.189
5	O	-0.189
6	C	-0.285
7	C	-0.285
8	H	0.136
9	H	0.136
10	H	0.132
11	H	0.116
12	H	0.132
13	H	0.116

	x	y	z
x	5.581	-0.068	0.000
y	-0.068	7.706	0.000
z	0.000	0.000	6.393

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H8O2 (Methane, dimethoxy-)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)