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	hartrees
Energy at 0K	-154.915365
Energy at 298.15K	-154.922022
HF Energy	-154.915365
Nuclear repulsion energy	84.292855

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	3131	3131	19.15	102.57	0.29	0.45
2	A₁	2987	2987	63.09	336.88	0.02	0.03
3	A₁	1508	1508	4.54	4.66	0.72	0.83
4	A₁	1482	1482	0.07	3.15	0.73	0.84
5	A₁	1269	1269	6.84	0.44	0.75	0.86
6	A₁	970	970	36.58	7.34	0.34	0.50
7	A₁	412	412	2.44	1.09	0.13	0.23
8	A₂	3032	3032	0.00	19.62	0.75	0.86
9	A₂	1477	1477	0.00	11.54	0.75	0.86
10	A₂	1163	1163	0.00	1.49	0.75	0.86
11	A₂	210	210	0.00	0.19	0.75	0.86
12	B₁	3025	3025	122.02	104.10	0.75	0.86
13	B₁	1485	1485	15.94	0.09	0.75	0.86
14	B₁	1193	1193	6.79	0.00	0.75	0.86
15	B₁	244	244	5.11	0.00	0.75	0.86
16	B₂	3130	3130	28.16	65.88	0.75	0.86
17	B₂	2976	2976	58.51	2.13	0.75	0.86
18	B₂	1490	1490	13.30	1.55	0.75	0.86
19	B₂	1453	1453	1.05	1.38	0.75	0.86
20	B₂	1219	1219	124.16	0.80	0.75	0.86
21	B₂	1130	1130	22.45	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.163	-0.194
C3	0.000	-1.163	-0.194
H4	0.000	2.016	0.483
H5	0.000	-2.016	0.483
H6	0.890	1.217	-0.835
H7	-0.890	1.217	-0.835
H8	-0.890	-1.217	-0.835
H9	0.890	-1.217	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4011	1.4011	2.0190	2.0190	2.0727	2.0727	2.0727	2.0727
C2	1.4011		2.3260	1.0892	3.2505	1.0983	1.0983	2.6203	2.6203
C3	1.4011	2.3260		3.2505	1.0892	2.6203	2.6203	1.0983	1.0983
H4	2.0190	1.0892	3.2505		4.0326	1.7801	1.7801	3.6030	3.6030
H5	2.0190	3.2505	1.0892	4.0326		3.6030	3.6030	1.7801	1.7801
H6	2.0727	1.0983	2.6203	1.7801	3.6030		1.7805	3.0152	2.4333
H7	2.0727	1.0983	2.6203	1.7801	3.6030	1.7805		2.4333	3.0152
H8	2.0727	2.6203	1.0983	3.6030	1.7801	3.0152	2.4333		1.7805
H9	2.0727	2.6203	1.0983	3.6030	1.7801	2.4333	3.0152	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.678	O1	C2	H6	111.474
O1	C2	H7	111.474	O1	C3	H5	107.678
O1	C3	H8	111.474	O1	C3	H9	111.474
C2	O1	C3	112.201	H4	C2	H6	108.929
H4	C2	H7	108.929	H5	C3	H8	108.929
H5	C3	H9	108.929	H6	C2	H7	108.302
H8	C3	H9	108.302

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

using model chemistry: HSEh1PBE/daug-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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Number	Element	Mulliken
1	O	-0.838
2	C	-0.975
3	C	-0.975
4	H	0.467
5	H	0.467
6	H	0.463
7	H	0.463
8	H	0.463
9	H	0.463

<r²>	52.236
(<r²>)^1/2	7.227

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

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