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	hartrees
Energy at 0K	-154.923125
Energy at 298.15K	-154.929777
HF Energy	-154.923125
Nuclear repulsion energy	82.798877

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	3188	3188	26.52	90.28	0.36	0.53
2	A₁	3016	3016	53.12	227.44	0.03	0.07
3	A₁	1565	1565	2.26	27.37	0.74	0.85
4	A₁	1527	1527	0.22	14.19	0.73	0.84
5	A₁	1270	1270	0.15	5.56	0.64	0.78
6	A₁	914	914	27.05	13.11	0.38	0.55
7	A₁	413	413	4.22	0.42	0.05	0.10
8	A₂	3077	3077	0.00	15.53	0.75	0.86
9	A₂	1533	1533	0.00	47.92	0.75	0.86
10	A₂	1169	1169	0.00	12.54	0.75	0.86
11	A₂	215	215	0.00	0.24	0.75	0.86
12	B₁	3073	3073	154.62	102.04	0.75	0.86
13	B₁	1543	1543	20.51	0.78	0.75	0.86
14	B₁	1200	1200	4.35	4.31	0.75	0.86
15	B₁	241	241	9.51	0.00	0.75	0.86
16	B₂	3185	3185	24.55	79.21	0.75	0.86
17	B₂	3008	3008	50.55	1.55	0.75	0.86
18	B₂	1546	1546	17.05	5.33	0.75	0.86
19	B₂	1498	1498	1.81	9.87	0.75	0.86
20	B₂	1198	1198	68.81	0.32	0.75	0.86
21	B₂	1115	1115	43.15	6.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.592
C2	0.000	1.198	-0.199
C3	0.000	-1.198	-0.199
H4	0.000	2.033	0.501
H5	0.000	-2.033	0.501
H6	0.893	1.258	-0.838
H7	-0.893	1.258	-0.838
H8	-0.893	-1.258	-0.838
H9	0.893	-1.258	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4363	1.4363	2.0348	2.0348	2.1036	2.1036	2.1036	2.1036
C2	1.4363		2.3967	1.0895	3.3062	1.0996	1.0996	2.6903	2.6903
C3	1.4363	2.3967		3.3062	1.0895	2.6903	2.6903	1.0996	1.0996
H4	2.0348	1.0895	3.3062		4.0655	1.7865	1.7865	3.6630	3.6630
H5	2.0348	3.3062	1.0895	4.0655		3.6630	3.6630	1.7865	1.7865
H6	2.1036	1.0996	2.6903	1.7865	3.6630		1.7866	3.0853	2.5154
H7	2.1036	1.0996	2.6903	1.7865	3.6630	1.7866		2.5154	3.0853
H8	2.1036	2.6903	1.0996	3.6630	1.7865	3.0853	2.5154		1.7866
H9	2.1036	2.6903	1.0996	3.6630	1.7865	2.5154	3.0853	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.534	O1	C2	H6	111.412
O1	C2	H7	111.412	O1	C3	H5	106.534
O1	C3	H8	111.412	O1	C3	H9	111.412
C2	O1	C3	113.097	H4	C2	H6	109.390
H4	C2	H7	109.390	H5	C3	H8	109.390
H5	C3	H9	109.390	H6	C2	H7	108.660
H8	C3	H9	108.660

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

using model chemistry: wB97X-D/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	O	-0.532
2	C	-0.205
3	C	-0.205
4	H	0.184
5	H	0.184
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.144

<r²>	53.592
(<r²>)^1/2	7.321

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

using model chemistry: wB97X-D/6-31G

States and conformations

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