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	hartrees
Energy at 0K	-154.863195
Energy at 298.15K	-154.869895
HF Energy	-154.703904
Nuclear repulsion energy	83.799206

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	3157	3026	25.69	104.42	0.34	0.51
2	A₁	2999	2875	59.43	252.57	0.03	0.06
3	A₁	1513	1450	0.66	14.07	0.74	0.85
4	A₁	1485	1423	0.32	13.70	0.75	0.86
5	A₁	1270	1218	7.41	1.53	0.50	0.67
6	A₁	966	926	34.94	8.24	0.46	0.63
7	A₁	418	401	2.34	0.52	0.04	0.07
8	A₂	3049	2922	0.00	18.24	0.75	0.86
9	A₂	1471	1410	0.00	32.66	0.75	0.86
10	A₂	1161	1113	0.00	4.32	0.75	0.86
11	A₂	217	208	0.00	0.27	0.75	0.86
12	B₁	3043	2917	155.34	114.85	0.75	0.86
13	B₁	1479	1418	10.62	0.18	0.75	0.86
14	B₁	1194	1144	8.46	1.93	0.75	0.86
15	B₁	259	248	5.56	0.04	0.75	0.86
16	B₂	3156	3025	32.42	84.12	0.75	0.86
17	B₂	2985	2862	58.18	1.57	0.75	0.86
18	B₂	1489	1427	14.94	3.68	0.75	0.86
19	B₂	1453	1393	10.59	6.50	0.75	0.86
20	B₂	1215	1164	121.15	0.27	0.75	0.86
21	B₂	1131	1084	22.79	3.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.595
C2	0.000	1.165	-0.196
C3	0.000	-1.165	-0.196
H4	0.000	2.027	0.485
H5	0.000	-2.027	0.485
H6	0.896	1.222	-0.845
H7	-0.896	1.222	-0.845
H8	-0.896	-1.222	-0.845
H9	0.896	-1.222	-0.845

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4085	1.4085	2.0297	2.0297	2.0908	2.0908	2.0908	2.0908
C2	1.4085		2.3303	1.0981	3.2636	1.1080	1.1080	2.6312	2.6312
C3	1.4085	2.3303		3.2636	1.0981	2.6312	2.6312	1.1080	1.1080
H4	2.0297	1.0981	3.2636		4.0534	1.7942	1.7942	3.6231	3.6231
H5	2.0297	3.2636	1.0981	4.0534		3.6231	3.6231	1.7942	1.7942
H6	2.0908	1.1080	2.6312	1.7942	3.6231		1.7921	3.0308	2.4443
H7	2.0908	1.1080	2.6312	1.7942	3.6231	1.7921		2.4443	3.0308
H8	2.0908	2.6312	1.1080	3.6231	1.7942	3.0308	2.4443		1.7921
H9	2.0908	2.6312	1.1080	3.6231	1.7942	2.4443	3.0308	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.498	O1	C2	H6	111.824
O1	C2	H7	111.824	O1	C3	H5	107.498
O1	C3	H8	111.824	O1	C3	H9	111.824
C2	O1	C3	111.632	H4	C2	H6	108.840
H4	C2	H7	108.840	H5	C3	H8	108.840
H5	C3	H9	108.840	H6	C2	H7	107.945
H8	C3	H9	107.945

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3OCH3 (Dimethyl ether)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

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