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	hartrees
Energy at 0K	-154.881675
Energy at 298.15K	-154.888373
HF Energy	-154.881675
Nuclear repulsion energy	84.276958

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	3139	3012	25.98	102.33	0.33	0.49
2	A₁	2986	2865	63.37	257.83	0.03	0.06
3	A₁	1517	1455	2.84	12.49	0.75	0.85
4	A₁	1489	1429	0.34	11.07	0.75	0.86
5	A₁	1273	1221	5.74	1.70	0.56	0.71
6	A₁	980	940	39.01	7.53	0.54	0.70
7	A₁	413	396	2.21	0.53	0.04	0.07
8	A₂	3030	2907	0.00	19.12	0.75	0.86
9	A₂	1475	1415	0.00	28.90	0.75	0.86
10	A₂	1165	1117	0.00	4.83	0.75	0.86
11	A₂	219	210	0.00	0.44	0.75	0.86
12	B₁	3025	2902	154.28	112.10	0.75	0.86
13	B₁	1484	1424	16.11	0.00	0.75	0.86
14	B₁	1197	1149	6.58	1.42	0.75	0.86
15	B₁	253	243	6.31	0.03	0.75	0.86
16	B₂	3138	3010	31.57	78.71	0.75	0.86
17	B₂	2973	2852	57.43	2.25	0.75	0.86
18	B₂	1493	1433	17.04	3.92	0.75	0.86
19	B₂	1459	1400	2.55	6.61	0.75	0.86
20	B₂	1229	1179	124.39	0.37	0.75	0.86
21	B₂	1137	1091	17.83	3.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.160	-0.194
C3	0.000	-1.160	-0.194
H4	0.000	2.016	0.483
H5	0.000	-2.016	0.483
H6	0.892	1.218	-0.838
H7	-0.892	1.218	-0.838
H8	-0.892	-1.218	-0.838
H9	0.892	-1.218	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4002	1.4002	2.0186	2.0186	2.0771	2.0771	2.0771	2.0771
C2	1.4002		2.3209	1.0912	3.2477	1.1012	1.1012	2.6202	2.6202
C3	1.4002	2.3209		3.2477	1.0912	2.6202	2.6202	1.1012	1.1012
H4	2.0186	1.0912	3.2477		4.0316	1.7824	1.7824	3.6050	3.6050
H5	2.0186	3.2477	1.0912	4.0316		3.6050	3.6050	1.7824	1.7824
H6	2.0771	1.1012	2.6202	1.7824	3.6050		1.7838	3.0190	2.4356
H7	2.0771	1.1012	2.6202	1.7824	3.6050	1.7838		2.4356	3.0190
H8	2.0771	2.6202	1.1012	3.6050	1.7824	3.0190	2.4356		1.7838
H9	2.0771	2.6202	1.1012	3.6050	1.7824	2.4356	3.0190	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.591	O1	C2	H6	111.719
O1	C2	H7	111.719	O1	C3	H5	107.591
O1	C3	H8	111.719	O1	C3	H9	111.719
C2	O1	C3	111.950	H4	C2	H6	108.779
H4	C2	H7	108.779	H5	C3	H8	108.779
H5	C3	H9	108.779	H6	C2	H7	108.180
H8	C3	H9	108.180

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

using model chemistry: PBE1PBE/6-311G**

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	-0.345
2	C	-0.152
3	C	-0.152
4	H	0.126
5	H	0.126
6	H	0.099
7	H	0.099
8	H	0.099
9	H	0.099

<r²>	52.067
(<r²>)^1/2	7.216

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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