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	hartrees
Energy at 0K	-154.966053
Energy at 298.15K	-154.972738
HF Energy	-154.759106
Nuclear repulsion energy	84.135168

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	3144	3005	22.78	102.04	0.29	0.45
2	A₁	3003	2871	62.77	277.90	0.03	0.05
3	A₁	1535	1467	2.14	10.32	0.74	0.85
4	A₁	1504	1437	0.01	4.53	0.74	0.85
5	A₁	1279	1223	6.01	1.40	0.51	0.68
6	A₁	953	911	34.51	7.96	0.43	0.60
7	A₁	415	397	2.43	0.61	0.06	0.12
8	A₂	3045	2910	0.00	18.07	0.75	0.86
9	A₂	1500	1434	0.00	19.23	0.75	0.86
10	A₂	1175	1123	0.00	3.36	0.75	0.86
11	A₂	211	202	0.00	0.23	0.75	0.86
12	B₁	3039	2905	134.83	103.45	0.75	0.86
13	B₁	1509	1442	11.82	0.01	0.75	0.86
14	B₁	1206	1153	8.06	0.89	0.75	0.86
15	B₁	249	238	5.39	0.01	0.75	0.86
16	B₂	3142	3003	31.71	71.24	0.75	0.86
17	B₂	2993	2861	52.72	1.74	0.75	0.86
18	B₂	1517	1450	11.98	2.77	0.75	0.86
19	B₂	1471	1406	4.45	3.07	0.75	0.86
20	B₂	1209	1155	100.11	0.20	0.75	0.86
21	B₂	1130	1080	41.49	2.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
C2	0.000	1.166	-0.197
C3	0.000	-1.166	-0.197
H4	0.000	2.016	0.478
H5	0.000	-2.016	0.478
H6	0.887	1.218	-0.835
H7	-0.887	1.218	-0.835
H8	-0.887	-1.218	-0.835
H9	0.887	-1.218	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4082	1.4082	2.0197	2.0197	2.0759	2.0759	2.0759	2.0759
C2	1.4082		2.3324	1.0854	3.2533	1.0945	1.0945	2.6228	2.6228
C3	1.4082	2.3324		3.2533	1.0854	2.6228	2.6228	1.0945	1.0945
H4	2.0197	1.0854	3.2533		4.0328	1.7748	1.7748	3.6017	3.6017
H5	2.0197	3.2533	1.0854	4.0328		3.6017	3.6017	1.7748	1.7748
H6	2.0759	1.0945	2.6228	1.7748	3.6017		1.7749	3.0138	2.4357
H7	2.0759	1.0945	2.6228	1.7748	3.6017	1.7749		2.4357	3.0138
H8	2.0759	2.6228	1.0945	3.6017	1.7748	3.0138	2.4357		1.7749
H9	2.0759	2.6228	1.0945	3.6017	1.7748	2.4357	3.0138	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.477	O1	C2	H6	111.474
O1	C2	H7	111.474	O1	C3	H5	107.477
O1	C3	H8	111.474	O1	C3	H9	111.474
C2	O1	C3	111.820	H4	C2	H6	109.005
H4	C2	H7	109.005	H5	C3	H8	109.005
H5	C3	H9	109.005	H6	C2	H7	108.352
H8	C3	H9	108.352

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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