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	hartrees
Energy at 0K	-154.941265
Energy at 298.15K	-154.947969
HF Energy	-154.941265
Nuclear repulsion energy	84.372322

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	3170	3027	27.57	93.74	0.34	0.51
2	A₁	3016	2880	59.02	206.78	0.03	0.06
3	A₁	1552	1481	0.70	21.62	0.74	0.85
4	A₁	1518	1449	0.04	15.40	0.74	0.85
5	A₁	1283	1225	5.76	3.11	0.60	0.75
6	A₁	993	948	36.38	8.88	0.44	0.61
7	A₁	410	391	2.49	0.45	0.02	0.04
8	A₂	3063	2924	0.00	14.52	0.75	0.86
9	A₂	1512	1443	0.00	40.83	0.75	0.86
10	A₂	1180	1127	0.00	7.74	0.75	0.86
11	A₂	225	215	0.00	0.24	0.75	0.86
12	B₁	3056	2918	150.61	97.40	0.75	0.86
13	B₁	1520	1452	11.72	0.44	0.75	0.86
14	B₁	1213	1158	6.81	3.40	0.75	0.86
15	B₁	252	240	6.19	0.07	0.75	0.86
16	B₂	3169	3026	33.56	74.10	0.75	0.86
17	B₂	3004	2868	56.24	1.45	0.75	0.86
18	B₂	1529	1460	14.88	3.49	0.75	0.86
19	B₂	1485	1417	7.31	9.99	0.75	0.86
20	B₂	1249	1192	131.26	0.16	0.75	0.86
21	B₂	1151	1099	15.46	4.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.590
C2	0.000	1.158	-0.194
C3	0.000	-1.158	-0.194
H4	0.000	2.013	0.483
H5	0.000	-2.013	0.483
H6	0.890	1.215	-0.838
H7	-0.890	1.215	-0.838
H8	-0.890	-1.215	-0.838
H9	0.890	-1.215	-0.838

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3988	1.3988	2.0154	2.0154	2.0755	2.0755	2.0755	2.0755
C2	1.3988		2.3165	1.0906	3.2424	1.1001	1.1001	2.6151	2.6151
C3	1.3988	2.3165		3.2424	1.0906	2.6151	2.6151	1.1001	1.1001
H4	2.0154	1.0906	3.2424		4.0251	1.7819	1.7819	3.5993	3.5993
H5	2.0154	3.2424	1.0906	4.0251		3.5993	3.5993	1.7819	1.7819
H6	2.0755	1.1001	2.6151	1.7819	3.5993		1.7809	3.0125	2.4297
H7	2.0755	1.1001	2.6151	1.7819	3.5993	1.7809		2.4297	3.0125
H8	2.0755	2.6151	1.1001	3.5993	1.7819	3.0125	2.4297		1.7809
H9	2.0755	2.6151	1.1001	3.5993	1.7819	2.4297	3.0125	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.467	O1	C2	H6	111.754
O1	C2	H7	111.754	O1	C3	H5	107.467
O1	C3	H8	111.754	O1	C3	H9	111.754
C2	O1	C3	111.791	H4	C2	H6	108.860
H4	C2	H7	108.860	H5	C3	H8	108.860
H5	C3	H9	108.860	H6	C2	H7	108.077
H8	C3	H9	108.077

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

using model chemistry: B1B95/6-31G**

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	-0.454
2	C	-0.232
3	C	-0.232
4	H	0.175
5	H	0.175
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	51.793
(<r²>)^1/2	7.197

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

using model chemistry: B1B95/6-31G**

States and conformations

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