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	hartrees
Energy at 0K	-154.958938
Energy at 298.15K	-154.965617
HF Energy	-154.765399
Nuclear repulsion energy	84.057886

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	3147	3147	22.04	99.35	0.31	0.47
2	A₁	3003	3003	61.60	289.25	0.02	0.04
3	A₁	1530	1530	2.21	9.48	0.75	0.85
4	A₁	1502	1502	0.02	4.18	0.75	0.86
5	A₁	1279	1279	5.85	1.61	0.56	0.71
6	A₁	950	950	35.76	8.25	0.39	0.56
7	A₁	415	415	2.40	0.61	0.07	0.13
8	A₂	3049	3049	0.00	16.22	0.75	0.86
9	A₂	1498	1498	0.00	19.32	0.75	0.86
10	A₂	1173	1173	0.00	4.72	0.75	0.86
11	A₂	213	213	0.00	0.34	0.75	0.86
12	B₁	3043	3043	127.69	99.93	0.75	0.86
13	B₁	1507	1507	12.42	0.09	0.75	0.86
14	B₁	1205	1205	7.57	0.94	0.75	0.86
15	B₁	250	250	5.57	0.03	0.75	0.86
16	B₂	3146	3146	30.66	68.93	0.75	0.86
17	B₂	2993	2993	52.77	1.23	0.75	0.86
18	B₂	1513	1513	11.29	2.43	0.75	0.86
19	B₂	1472	1472	3.72	2.53	0.75	0.86
20	B₂	1207	1207	97.87	0.21	0.75	0.86
21	B₂	1128	1128	44.03	3.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
C2	0.000	1.168	-0.197
C3	0.000	-1.168	-0.197
H4	0.000	2.018	0.480
H5	0.000	-2.018	0.480
H6	0.889	1.218	-0.835
H7	-0.889	1.218	-0.835
H8	-0.889	-1.218	-0.835
H9	0.889	-1.218	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4096	1.4096	2.0211	2.0211	2.0765	2.0765	2.0765	2.0765
C2	1.4096		2.3360	1.0863	3.2569	1.0953	1.0953	2.6252	2.6252
C3	1.4096	2.3360		3.2569	1.0863	2.6252	2.6252	1.0953	1.0953
H4	2.0211	1.0863	3.2569		4.0358	1.7770	1.7770	3.6044	3.6044
H5	2.0211	3.2569	1.0863	4.0358		3.6044	3.6044	1.7770	1.7770
H6	2.0765	1.0953	2.6252	1.7770	3.6044		1.7771	3.0158	2.4366
H7	2.0765	1.0953	2.6252	1.7770	3.6044	1.7771		2.4366	3.0158
H8	2.0765	2.6252	1.0953	3.6044	1.7770	3.0158	2.4366		1.7771
H9	2.0765	2.6252	1.0953	3.6044	1.7770	2.4366	3.0158	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.438	O1	C2	H6	111.370
O1	C2	H7	111.370	O1	C3	H5	107.438
O1	C3	H8	111.370	O1	C3	H9	111.370
C2	O1	C3	111.909	H4	C2	H6	109.090
H4	C2	H7	109.090	H5	C3	H8	109.090
H5	C3	H9	109.090	H6	C2	H7	108.438
H8	C3	H9	108.438

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

using model chemistry: B2PLYP/Def2TZVPP

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	-0.331
2	C	-0.099
3	C	-0.099
4	H	0.110
5	H	0.110
6	H	0.077
7	H	0.077
8	H	0.077
9	H	0.077

<r²>	52.496
(<r²>)^1/2	7.245

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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