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	hartrees
Energy at 0K	-154.002599
Energy at 298.15K	-154.009309
HF Energy	-154.002599
Nuclear repulsion energy	82.616223

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	3156	3040	24.38	85.81	0.35	0.51
2	A₁	3007	2897	43.59	188.60	0.03	0.07
3	A₁	1589	1531	1.46	32.57	0.75	0.86
4	A₁	1528	1472	0.76	12.69	0.69	0.82
5	A₁	1253	1207	0.03	4.96	0.68	0.81
6	A₁	913	879	20.80	11.26	0.34	0.51
7	A₁	406	391	4.16	0.55	0.05	0.10
8	A₂	3048	2936	0.00	15.68	0.75	0.86
9	A₂	1546	1489	0.00	51.77	0.75	0.86
10	A₂	1156	1114	0.00	11.22	0.75	0.86
11	A₂	250	241	0.00	0.24	0.75	0.86
12	B₁	3046	2934	139.46	89.94	0.75	0.86
13	B₁	1554	1497	19.22	0.97	0.75	0.86
14	B₁	1189	1145	1.48	4.40	0.75	0.86
15	B₁	251	242	8.46	0.04	0.75	0.86
16	B₂	3153	3038	22.75	71.43	0.75	0.86
17	B₂	2996	2886	44.07	2.00	0.75	0.86
18	B₂	1569	1511	18.11	5.10	0.75	0.86
19	B₂	1486	1431	4.09	11.07	0.75	0.86
20	B₂	1169	1127	60.30	0.44	0.75	0.86
21	B₂	1106	1065	33.62	5.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.614
C2	0.000	1.188	-0.206
C3	0.000	-1.188	-0.206
H4	0.000	2.038	0.480
H5	0.000	-2.038	0.480
H6	0.891	1.245	-0.851
H7	-0.891	1.245	-0.851
H8	-0.891	-1.245	-0.851
H9	0.891	-1.245	-0.851

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4440	1.4440	2.0427	2.0427	2.1190	2.1190	2.1190	2.1190
C2	1.4440		2.3766	1.0922	3.2986	1.1015	1.1015	2.6701	2.6701
C3	1.4440	2.3766		3.2986	1.0922	2.6701	2.6701	1.1015	1.1015
H4	2.0427	1.0922	3.2986		4.0765	1.7873	1.7873	3.6527	3.6527
H5	2.0427	3.2986	1.0922	4.0765		3.6527	3.6527	1.7873	1.7873
H6	2.1190	1.1015	2.6701	1.7873	3.6527		1.7829	3.0620	2.4894
H7	2.1190	1.1015	2.6701	1.7873	3.6527	1.7829		2.4894	3.0620
H8	2.1190	2.6701	1.1015	3.6527	1.7873	3.0620	2.4894		1.7829
H9	2.1190	2.6701	1.1015	3.6527	1.7873	2.4894	3.0620	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.472	O1	C2	H6	112.001
O1	C2	H7	112.001	O1	C3	H5	106.472
O1	C3	H8	112.001	O1	C3	H9	112.001
C2	O1	C3	110.752	H4	C2	H6	109.124
H4	C2	H7	109.124	H5	C3	H8	109.124
H5	C3	H9	109.124	H6	C2	H7	108.058
H8	C3	H9	108.058

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

using model chemistry: HSEh1PBE/3-21G

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	-0.489
2	C	-0.369
3	C	-0.369
4	H	0.229
5	H	0.229
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.192

<r²>	53.485
(<r²>)^1/2	7.313

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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