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	hartrees
Energy at 0K	-154.976358
Energy at 298.15K	-154.982905
HF Energy	-154.976358
Nuclear repulsion energy	82.706240

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	3041	3041	23.14	114.39	0.29	0.45
2	A₁	2893	2893	73.77	365.16	0.02	0.04
3	A₁	1442	1442	2.72	4.97	0.74	0.85
4	A₁	1409	1409	0.00	4.14	0.74	0.85
5	A₁	1210	1210	5.27	0.48	0.58	0.74
6	A₁	880	880	34.51	8.23	0.35	0.52
7	A₁	400	400	2.23	1.83	0.17	0.28
8	A₂	2933	2933	0.00	30.20	0.75	0.86
9	A₂	1409	1409	0.00	13.95	0.75	0.86
10	A₂	1107	1107	0.00	2.36	0.75	0.86
11	A₂	193	193	0.00	0.32	0.75	0.86
12	B₁	2927	2927	146.36	130.30	0.75	0.86
13	B₁	1421	1421	11.84	0.08	0.75	0.86
14	B₁	1135	1135	6.59	0.03	0.75	0.86
15	B₁	230	230	5.14	0.00	0.75	0.86
16	B₂	3041	3041	30.66	76.80	0.75	0.86
17	B₂	2879	2879	68.26	4.82	0.75	0.86
18	B₂	1425	1425	11.63	2.16	0.75	0.86
19	B₂	1382	1382	2.26	2.19	0.75	0.86
20	B₂	1124	1124	59.83	0.04	0.75	0.86
21	B₂	1056	1056	70.15	2.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.599
C2	0.000	1.190	-0.200
C3	0.000	-1.190	-0.200
H4	0.000	2.043	0.497
H5	0.000	-2.043	0.497
H6	0.904	1.243	-0.846
H7	-0.904	1.243	-0.846
H8	-0.904	-1.243	-0.846
H9	0.904	-1.243	-0.846

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4330	1.4330	2.0459	2.0459	2.1096	2.1096	2.1096	2.1096
C2	1.4330		2.3792	1.1025	3.3074	1.1121	1.1121	2.6744	2.6744
C3	1.4330	2.3792		3.3074	1.1025	2.6744	2.6744	1.1121	1.1121
H4	2.0459	1.1025	3.3074		4.0869	1.8061	1.8061	3.6638	3.6638
H5	2.0459	3.3074	1.1025	4.0869		3.6638	3.6638	1.8061	1.8061
H6	2.1096	1.1121	2.6744	1.8061	3.6638		1.8070	3.0737	2.4864
H7	2.1096	1.1121	2.6744	1.8061	3.6638	1.8070		2.4864	3.0737
H8	2.1096	2.6744	1.1121	3.6638	1.8061	3.0737	2.4864		1.8070
H9	2.1096	2.6744	1.1121	3.6638	1.8061	2.4864	3.0737	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.865	O1	C2	H6	111.346
O1	C2	H7	111.346	O1	C3	H5	106.865
O1	C3	H8	111.346	O1	C3	H9	111.346
C2	O1	C3	112.222	H4	C2	H6	109.282
H4	C2	H7	109.282	H5	C3	H8	109.282
H5	C3	H9	109.282	H6	C2	H7	108.677
H8	C3	H9	108.677

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

using model chemistry: BLYP/daug-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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Number	Element	Mulliken
1	O	-0.465
2	C	1.618
3	C	1.618
4	H	-0.492
5	H	-0.492
6	H	-0.447
7	H	-0.447
8	H	-0.447
9	H	-0.447

<r²>	54.139
(<r²>)^1/2	7.358

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

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

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