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	hartrees
Energy at 0K	-153.077402
Energy at 298.15K	-153.083964
HF Energy	-153.077402
Nuclear repulsion energy	81.604221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3440	3440	5.06	37.10	0.57	0.73
2	A₁	3226	3226	10.14	84.92	0.01	0.02
3	A₁	1686	1686	0.41	27.06	0.75	0.86
4	A₁	1610	1610	0.17	6.03	0.73	0.84
5	A₁	1328	1328	0.00	3.87	0.64	0.78
6	A₁	972	972	3.02	7.97	0.31	0.47
7	A₁	447	447	0.87	0.67	0.14	0.24
8	A₂	3365	3365	0.00	8.43	0.75	0.86
9	A₂	1657	1657	0.00	32.54	0.75	0.86
10	A₂	1169	1169	0.00	5.85	0.75	0.86
11	A₂	236	236	0.00	0.04	0.75	0.86
12	B₁	3360	3360	33.61	43.73	0.75	0.86
13	B₁	1656	1656	5.67	2.54	0.75	0.86
14	B₁	1185	1185	3.74	3.06	0.75	0.86
15	B₁	263	263	2.97	0.01	0.75	0.86
16	B₂	3437	3437	0.10	33.21	0.75	0.86
17	B₂	3225	3225	20.32	0.00	0.75	0.86
18	B₂	1680	1680	7.49	0.37	0.75	0.86
19	B₂	1568	1568	20.77	7.18	0.75	0.86
20	B₂	1207	1207	21.70	1.04	0.75	0.86
21	B₂	1155	1155	0.27	3.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.661
C2	0.000	1.179	-0.222
C3	0.000	-1.179	-0.222
H4	0.000	2.067	0.439
H5	0.000	-2.067	0.439
H6	0.901	1.219	-0.875
H7	-0.901	1.219	-0.875
H8	-0.901	-1.219	-0.875
H9	0.901	-1.219	-0.875

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4729	1.4729	2.0792	2.0792	2.1580	2.1580	2.1580	2.1580
C2	1.4729		2.3576	1.1072	3.3126	1.1135	1.1135	2.6430	2.6430
C3	1.4729	2.3576		3.3126	1.1072	2.6430	2.6430	1.1135	1.1135
H4	2.0792	1.1072	3.3126		4.1345	1.8051	1.8051	3.6516	3.6516
H5	2.0792	3.3126	1.1072	4.1345		3.6516	3.6516	1.8051	1.8051
H6	2.1580	1.1135	2.6430	1.8051	3.6516		1.8017	3.0307	2.4370
H7	2.1580	1.1135	2.6430	1.8051	3.6516	1.8017		2.4370	3.0307
H8	2.1580	2.6430	1.1135	3.6516	1.8051	3.0307	2.4370		1.8017
H9	2.1580	2.6430	1.1135	3.6516	1.8051	2.4370	3.0307	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.527	O1	C2	H6	112.355
O1	C2	H7	112.355	O1	C3	H5	106.527
O1	C3	H8	112.355	O1	C3	H9	112.355
C2	O1	C3	106.320	H4	C2	H6	108.751
H4	C2	H7	108.751	H5	C3	H8	108.751
H5	C3	H9	108.751	H6	C2	H7	107.998
H8	C3	H9	107.998

All results from a given calculation for CH₃OCH₃ (Dimethyl ether)

using model chemistry: TPSSh/STO-3G

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	O	-0.179
2	C	-0.113
3	C	-0.113
4	H	0.076
5	H	0.076
6	H	0.063
7	H	0.063
8	H	0.063
9	H	0.063

<r²>	53.303
(<r²>)^1/2	7.301

All results from a given calculation for CH3OCH3 (Dimethyl ether)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CH₃OCH₃ (Dimethyl ether)