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	hartrees
Energy at 0K	-155.004621
Energy at 298.15K	-155.011265
HF Energy	-155.004621
Nuclear repulsion energy	83.983535

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	3151	3151	22.92	98.48	0.32	0.48
2	A₁	2999	2999	64.07	337.40	0.02	0.03
3	A₁	1491	1491	4.35	4.45	0.72	0.84
4	A₁	1463	1463	0.14	3.51	0.73	0.85
5	A₁	1261	1261	6.66	0.42	0.72	0.84
6	A₁	968	968	35.64	7.78	0.32	0.49
7	A₁	412	412	2.43	1.11	0.12	0.22
8	A₂	3054	3054	0.00	19.75	0.75	0.86
9	A₂	1458	1458	0.00	11.92	0.75	0.86
10	A₂	1152	1152	0.00	1.67	0.75	0.86
11	A₂	198	198	0.00	0.19	0.75	0.86
12	B₁	3049	3049	127.31	102.82	0.75	0.86
13	B₁	1470	1470	15.39	0.07	0.75	0.86
14	B₁	1183	1183	6.45	0.00	0.75	0.86
15	B₁	240	240	5.26	0.01	0.75	0.86
16	B₂	3150	3150	29.32	67.04	0.75	0.86
17	B₂	2988	2988	64.62	1.69	0.75	0.86
18	B₂	1473	1473	13.44	1.48	0.75	0.86
19	B₂	1432	1432	0.96	1.60	0.75	0.86
20	B₂	1217	1217	123.73	0.82	0.75	0.86
21	B₂	1122	1122	19.33	1.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.167	-0.195
C3	0.000	-1.167	-0.195
H4	0.000	2.021	0.490
H5	0.000	-2.021	0.490
H6	0.895	1.222	-0.837
H7	-0.895	1.222	-0.837
H8	-0.895	-1.222	-0.837
H9	0.895	-1.222	-0.837

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4056	1.4056	2.0238	2.0238	2.0805	2.0805	2.0805	2.0805
C2	1.4056		2.3340	1.0947	3.2610	1.1035	1.1035	2.6308	2.6308
C3	1.4056	2.3340		3.2610	1.0947	2.6308	2.6308	1.1035	1.1035
H4	2.0238	1.0947	3.2610		4.0428	1.7894	1.7894	3.6168	3.6168
H5	2.0238	3.2610	1.0947	4.0428		3.6168	3.6168	1.7894	1.7894
H6	2.0805	1.1035	2.6308	1.7894	3.6168		1.7908	3.0296	2.4437
H7	2.0805	1.1035	2.6308	1.7894	3.6168	1.7908		2.4437	3.0296
H8	2.0805	2.6308	1.1035	3.6168	1.7894	3.0296	2.4437		1.7908
H9	2.0805	2.6308	1.1035	3.6168	1.7894	2.4437	3.0296	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.429	O1	C2	H6	111.460
O1	C2	H7	111.460	O1	C3	H5	107.429
O1	C3	H8	111.460	O1	C3	H9	111.460
C2	O1	C3	112.248	H4	C2	H6	108.983
H4	C2	H7	108.983	H5	C3	H8	108.983
H5	C3	H9	108.983	H6	C2	H7	108.469
H8	C3	H9	108.469

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

using model chemistry: mPW1PW91/daug-cc-pVDZ

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	-0.623
2	C	0.960
3	C	0.960
4	H	-0.240
5	H	-0.240
6	H	-0.204
7	H	-0.204
8	H	-0.204
9	H	-0.204

<r²>	52.514
(<r²>)^1/2	7.247

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

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

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