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	hartrees
Energy at 0K	-154.981796
Energy at 298.15K	-154.988508
HF Energy	-154.981796
Nuclear repulsion energy	84.244487

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	3169	3005	28.00	93.52	0.35	0.51
2	A₁	3017	2861	59.02	209.81	0.03	0.06
3	A₁	1555	1475	0.85	20.61	0.74	0.85
4	A₁	1524	1445	0.06	15.94	0.74	0.85
5	A₁	1289	1222	5.00	3.10	0.60	0.75
6	A₁	990	938	36.32	8.71	0.44	0.61
7	A₁	418	396	2.60	0.46	0.03	0.05
8	A₂	3062	2903	0.00	15.28	0.75	0.86
9	A₂	1516	1438	0.00	40.80	0.75	0.86
10	A₂	1183	1122	0.00	7.83	0.75	0.86
11	A₂	225	213	0.00	0.24	0.75	0.86
12	B₁	3057	2899	151.35	99.04	0.75	0.86
13	B₁	1526	1447	12.10	0.37	0.75	0.86
14	B₁	1217	1154	6.06	3.30	0.75	0.86
15	B₁	258	245	6.59	0.06	0.75	0.86
16	B₂	3167	3004	33.41	75.11	0.75	0.86
17	B₂	3003	2848	57.77	1.63	0.75	0.86
18	B₂	1533	1454	15.02	3.61	0.75	0.86
19	B₂	1489	1412	7.07	9.84	0.75	0.86
20	B₂	1246	1182	126.43	0.11	0.75	0.86
21	B₂	1153	1093	18.20	4.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.161	-0.194
C3	0.000	-1.161	-0.194
H4	0.000	2.014	0.487
H5	0.000	-2.014	0.487
H6	0.891	1.220	-0.838
H7	-0.891	1.220	-0.838
H8	-0.891	-1.220	-0.838
H9	0.891	-1.220	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4007	1.4007	2.0169	2.0169	2.0786	2.0786	2.0786	2.0786
C2	1.4007		2.3224	1.0917	3.2478	1.1012	1.1012	2.6232	2.6232
C3	1.4007	2.3224		3.2478	1.0917	2.6232	2.6232	1.1012	1.1012
H4	2.0169	1.0917	3.2478		4.0287	1.7833	1.7833	3.6075	3.6075
H5	2.0169	3.2478	1.0917	4.0287		3.6075	3.6075	1.7833	1.7833
H6	2.0786	1.1012	2.6232	1.7833	3.6075		1.7829	3.0227	2.4409
H7	2.0786	1.1012	2.6232	1.7833	3.6075	1.7829		2.4409	3.0227
H8	2.0786	2.6232	1.1012	3.6075	1.7833	3.0227	2.4409		1.7829
H9	2.0786	2.6232	1.1012	3.6075	1.7833	2.4409	3.0227	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.394	O1	C2	H6	111.811
O1	C2	H7	111.811	O1	C3	H5	107.394
O1	C3	H8	111.811	O1	C3	H9	111.811
C2	O1	C3	111.993	H4	C2	H6	108.827
H4	C2	H7	108.827	H5	C3	H8	108.827
H5	C3	H9	108.827	H6	C2	H7	108.100
H8	C3	H9	108.100

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

using model chemistry: mPW1PW91/6-31G*

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	-0.452
2	C	-0.259
3	C	-0.259
4	H	0.184
5	H	0.184
6	H	0.150
7	H	0.150
8	H	0.150
9	H	0.150

<r²>	51.941
(<r²>)^1/2	7.207

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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