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	hartrees
Energy at 0K	-30.877697
Energy at 298.15K	-30.884349
HF Energy	-30.877697
Nuclear repulsion energy	49.855054

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	3106	3011	40.73	109.23	0.34	0.51
2	A₁	2963	2872	81.91	271.25	0.03	0.06
3	A₁	1523	1476	0.55	14.80	0.75	0.86
4	A₁	1496	1450	0.23	13.58	0.75	0.86
5	A₁	1262	1223	5.19	4.18	0.58	0.73
6	A₁	936	908	39.51	11.38	0.47	0.64
7	A₁	410	397	2.32	0.65	0.04	0.07
8	A₂	3003	2911	0.00	20.29	0.75	0.86
9	A₂	1487	1441	0.00	34.37	0.75	0.86
10	A₂	1156	1121	0.00	10.27	0.75	0.86
11	A₂	212	205	0.00	0.51	0.75	0.86
12	B₁	3001	2910	199.38	121.45	0.75	0.86
13	B₁	1498	1452	10.41	0.00	0.75	0.86
14	B₁	1187	1151	7.66	2.93	0.75	0.86
15	B₁	251	243	6.76	0.09	0.75	0.86
16	B₂	3105	3010	48.90	87.20	0.75	0.86
17	B₂	2948	2857	68.02	1.47	0.75	0.86
18	B₂	1503	1457	14.90	4.46	0.75	0.86
19	B₂	1464	1419	9.20	7.84	0.75	0.86
20	B₂	1189	1153	101.23	0.02	0.75	0.86
21	B₂	1113	1079	51.65	6.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.598
C2	0.000	1.180	-0.199
C3	0.000	-1.180	-0.199
H4	0.000	2.035	0.485
H5	0.000	-2.035	0.485
H6	0.896	1.236	-0.842
H7	-0.896	1.236	-0.842
H8	-0.896	-1.236	-0.842
H9	0.896	-1.236	-0.842

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4242	1.4242	2.0385	2.0385	2.0988	2.0988	2.0988	2.0988
C2	1.4242		2.3605	1.0952	3.2877	1.1044	1.1044	2.6558	2.6558
C3	1.4242	2.3605		3.2877	1.0952	2.6558	2.6558	1.1044	1.1044
H4	2.0385	1.0952	3.2877		4.0708	1.7904	1.7904	3.6422	3.6422
H5	2.0385	3.2877	1.0952	4.0708		3.6422	3.6422	1.7904	1.7904
H6	2.0988	1.1044	2.6558	1.7904	3.6422		1.7916	3.0524	2.4713
H7	2.0988	1.1044	2.6558	1.7904	3.6422	1.7916		2.4713	3.0524
H8	2.0988	2.6558	1.1044	3.6422	1.7904	3.0524	2.4713		1.7916
H9	2.0988	2.6558	1.1044	3.6422	1.7904	2.4713	3.0524	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.303	O1	C2	H6	111.574
O1	C2	H7	111.574	O1	C3	H5	107.303
O1	C3	H8	111.574	O1	C3	H9	111.574
C2	O1	C3	111.937	H4	C2	H6	108.962
H4	C2	H7	108.962	H5	C3	H8	108.962
H5	C3	H9	108.962	H6	C2	H7	108.404
H8	C3	H9	108.404

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

using model chemistry: B3LYP/CEP-121G*

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	-0.274
2	C	-0.321
3	C	-0.321
4	H	0.181
5	H	0.181
6	H	0.139
7	H	0.139
8	H	0.139
9	H	0.139

<r²>	46.801
(<r²>)^1/2	6.841

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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