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	hartrees
Energy at 0K	-155.074464
Energy at 298.15K	-155.081112
HF Energy	-155.074464
Nuclear repulsion energy	83.752042

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	3117	3117	32.28	108.47	0.31	0.48
2	A₁	2965	2965	73.69	263.85	0.03	0.06
3	A₁	1527	1527	1.16	15.60	0.74	0.85
4	A₁	1496	1496	0.06	8.25	0.75	0.86
5	A₁	1269	1269	5.62	2.40	0.59	0.75
6	A₁	940	940	37.73	8.23	0.51	0.67
7	A₁	395	395	1.92	0.58	0.06	0.12
8	A₂	3002	3002	0.00	20.94	0.75	0.86
9	A₂	1490	1490	0.00	29.77	0.75	0.86
10	A₂	1158	1158	0.00	6.53	0.75	0.86
11	A₂	217	217	0.00	0.45	0.75	0.86
12	B₁	2997	2997	181.62	118.22	0.75	0.86
13	B₁	1499	1499	10.79	0.00	0.75	0.86
14	B₁	1190	1190	8.02	1.73	0.75	0.86
15	B₁	241	241	5.93	0.02	0.75	0.86
16	B₂	3115	3115	38.51	82.53	0.75	0.86
17	B₂	2951	2951	58.71	3.19	0.75	0.86
18	B₂	1509	1509	13.10	3.64	0.75	0.86
19	B₂	1463	1463	7.50	7.43	0.75	0.86
20	B₂	1187	1187	91.05	0.00	0.75	0.86
21	B₂	1116	1116	50.80	3.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.596
C2	0.000	1.170	-0.198
C3	0.000	-1.170	-0.198
H4	0.000	2.021	0.485
H5	0.000	-2.021	0.485
H6	0.894	1.223	-0.839
H7	-0.894	1.223	-0.839
H8	-0.894	-1.223	-0.839
H9	0.894	-1.223	-0.839

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4145	1.4145	2.0237	2.0237	2.0866	2.0866	2.0866	2.0866
C2	1.4145		2.3410	1.0907	3.2635	1.1010	1.1010	2.6338	2.6338
C3	1.4145	2.3410		3.2635	1.0907	2.6338	2.6338	1.1010	1.1010
H4	2.0237	1.0907	3.2635		4.0413	1.7858	1.7858	3.6155	3.6155
H5	2.0237	3.2635	1.0907	4.0413		3.6155	3.6155	1.7858	1.7858
H6	2.0866	1.1010	2.6338	1.7858	3.6155		1.7871	3.0289	2.4455
H7	2.0866	1.1010	2.6338	1.7858	3.6155	1.7871		2.4455	3.0289
H8	2.0866	2.6338	1.1010	3.6155	1.7858	3.0289	2.4455		1.7871
H9	2.0866	2.6338	1.1010	3.6155	1.7858	2.4455	3.0289	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.049	O1	C2	H6	111.484
O1	C2	H7	111.484	O1	C3	H5	107.049
O1	C3	H8	111.484	O1	C3	H9	111.484
C2	O1	C3	111.680	H4	C2	H6	109.135
H4	C2	H7	109.135	H5	C3	H8	109.135
H5	C3	H9	109.135	H6	C2	H7	108.503
H8	C3	H9	108.503

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

using model chemistry: TPSSh/6-311G**

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	-0.367
2	C	-0.110
3	C	-0.110
4	H	0.116
5	H	0.116
6	H	0.089
7	H	0.089
8	H	0.089
9	H	0.089

<r²>	52.529
(<r²>)^1/2	7.248

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

using model chemistry: TPSSh/6-311G**

States and conformations

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