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	hartrees
Energy at 0K	-30.823689
Energy at 298.15K	-30.830299
HF Energy	-30.823689
Nuclear repulsion energy	49.282412

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	3187	3187	59.10	91.12	0.37	0.54
2	A₁	3014	3014	102.24	280.22	0.03	0.06
3	A₁	1533	1533	3.40	22.16	0.75	0.85
4	A₁	1503	1503	0.03	16.21	0.65	0.79
5	A₁	1256	1256	0.00	7.84	0.54	0.70
6	A₁	912	912	30.71	28.02	0.27	0.43
7	A₁	398	398	4.15	0.33	0.34	0.51
8	A₂	3086	3086	0.00	12.59	0.75	0.86
9	A₂	1504	1504	0.00	44.13	0.75	0.86
10	A₂	1155	1155	0.00	19.80	0.75	0.86
11	A₂	205	205	0.00	0.63	0.75	0.86
12	B₁	3083	3083	236.95	103.38	0.75	0.86
13	B₁	1516	1516	21.12	0.90	0.75	0.86
14	B₁	1183	1183	2.75	4.47	0.75	0.86
15	B₁	241	241	10.49	0.03	0.75	0.86
16	B₂	3182	3182	52.09	81.64	0.75	0.86
17	B₂	3004	3004	98.75	0.09	0.75	0.86
18	B₂	1514	1514	18.14	3.81	0.75	0.86
19	B₂	1479	1479	1.40	7.48	0.75	0.86
20	B₂	1198	1198	90.05	1.21	0.75	0.86
21	B₂	1112	1112	30.93	11.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.598
C2	0.000	1.207	-0.201
C3	0.000	-1.207	-0.201
H4	0.000	2.049	0.500
H5	0.000	-2.049	0.500
H6	0.901	1.263	-0.843
H7	-0.901	1.263	-0.843
H8	-0.901	-1.263	-0.843
H9	0.901	-1.263	-0.843

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4479	1.4479	2.0516	2.0516	2.1173	2.1173	2.1173	2.1173
C2	1.4479		2.4141	1.0960	3.3310	1.1072	1.1072	2.7062	2.7062
C3	1.4479	2.4141		3.3310	1.0960	2.7062	2.7062	1.1072	1.1072
H4	2.0516	1.0960	3.3310		4.0985	1.7980	1.7980	3.6857	3.6857
H5	2.0516	3.3310	1.0960	4.0985		3.6857	3.6857	1.7980	1.7980
H6	2.1173	1.1072	2.7062	1.7980	3.6857		1.8013	3.1023	2.5258
H7	2.1173	1.1072	2.7062	1.7980	3.6857	1.8013		2.5258	3.1023
H8	2.1173	2.7062	1.1072	3.6857	1.7980	3.1023	2.5258		1.8013
H9	2.1173	2.7062	1.1072	3.6857	1.7980	2.5258	3.1023	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.693	O1	C2	H6	111.225
O1	C2	H7	111.225	O1	C3	H5	106.693
O1	C3	H8	111.225	O1	C3	H9	111.225
C2	O1	C3	112.956	H4	C2	H6	109.390
H4	C2	H7	109.390	H5	C3	H8	109.390
H5	C3	H9	109.390	H6	C2	H7	108.875
H8	C3	H9	108.875

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

using model chemistry: wB97X-D/CEP-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	-0.267
2	C	-0.352
3	C	-0.352
4	H	0.205
5	H	0.205
6	H	0.140
7	H	0.140
8	H	0.140
9	H	0.140

<r²>	47.370
(<r²>)^1/2	6.883

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

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

States and conformations

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