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	hartrees
Energy at 0K	-154.827573
Energy at 298.15K	-154.834210
HF Energy	-154.827573
Nuclear repulsion energy	83.357239

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	3056	3038	21.91	112.70	0.32	0.49
2	A₁	2888	2871	61.41	270.02	0.03	0.05
3	A₁	1445	1437	1.02	14.90	0.73	0.84
4	A₁	1414	1406	0.30	16.26	0.75	0.85
5	A₁	1213	1206	5.67	1.01	0.61	0.76
6	A₁	938	933	33.97	6.45	0.53	0.69
7	A₁	402	399	2.10	0.64	0.06	0.12
8	A₂	2931	2914	0.00	26.91	0.75	0.86
9	A₂	1395	1387	0.00	36.17	0.75	0.86
10	A₂	1108	1102	0.00	4.54	0.75	0.86
11	A₂	225	224	0.00	0.41	0.75	0.86
12	B₁	2923	2906	160.15	123.62	0.75	0.86
13	B₁	1402	1394	11.73	0.20	0.75	0.86
14	B₁	1140	1133	6.29	1.90	0.75	0.86
15	B₁	252	251	4.84	0.05	0.75	0.86
16	B₂	3055	3037	28.32	87.79	0.75	0.86
17	B₂	2871	2855	68.38	3.91	0.75	0.86
18	B₂	1417	1409	17.58	4.89	0.75	0.86
19	B₂	1386	1378	7.28	8.18	0.75	0.86
20	B₂	1163	1156	120.68	0.13	0.75	0.86
21	B₂	1089	1083	13.60	3.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.600
C2	0.000	1.168	-0.197
C3	0.000	-1.168	-0.197
H4	0.000	2.037	0.490
H5	0.000	-2.037	0.490
H6	0.903	1.229	-0.854
H7	-0.903	1.229	-0.854
H8	-0.903	-1.229	-0.854
H9	0.903	-1.229	-0.854

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4135	1.4135	2.0395	2.0395	2.1071	2.1071	2.1071	2.1071
C2	1.4135		2.3351	1.1073	3.2768	1.1187	1.1187	2.6439	2.6439
C3	1.4135	2.3351		3.2768	1.1073	2.6439	2.6439	1.1187	1.1187
H4	2.0395	1.1073	3.2768		4.0731	1.8094	1.8094	3.6446	3.6446
H5	2.0395	3.2768	1.1073	4.0731		3.6446	3.6446	1.8094	1.8094
H6	2.1071	1.1187	2.6439	1.8094	3.6446		1.8063	3.0499	2.4575
H7	2.1071	1.1187	2.6439	1.8094	3.6446	1.8063		2.4575	3.0499
H8	2.1071	2.6439	1.1187	3.6446	1.8094	3.0499	2.4575		1.8063
H9	2.1071	2.6439	1.1187	3.6446	1.8094	2.4575	3.0499	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.386	O1	C2	H6	112.110
O1	C2	H7	112.110	O1	C3	H5	107.386
O1	C3	H8	112.110	O1	C3	H9	112.110
C2	O1	C3	111.377	H4	C2	H6	108.742
H4	C2	H7	108.742	H5	C3	H8	108.742
H5	C3	H9	108.742	H6	C2	H7	107.666
H8	C3	H9	107.666

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

using model chemistry: PBEPBEultrafine/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	-0.272
2	C	0.064
3	C	0.064
4	H	0.039
5	H	0.039
6	H	0.017
7	H	0.017
8	H	0.017
9	H	0.017

<r²>	52.925
(<r²>)^1/2	7.275

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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