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	hartrees
Energy at 0K	-155.043021
Energy at 298.15K	-155.049691
HF Energy	-155.043021
Nuclear repulsion energy	84.351537

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	3135	3007	23.44	101.00	0.31	0.47
2	A₁	2992	2870	60.73	282.23	0.02	0.04
3	A₁	1519	1457	3.12	9.06	0.74	0.85
4	A₁	1492	1431	0.03	5.86	0.74	0.85
5	A₁	1275	1223	6.27	1.04	0.53	0.69
6	A₁	974	934	35.60	7.03	0.46	0.63
7	A₁	409	393	2.41	0.58	0.06	0.11
8	A₂	3036	2912	0.00	19.18	0.75	0.86
9	A₂	1483	1422	0.00	19.34	0.75	0.86
10	A₂	1168	1121	0.00	2.92	0.75	0.86
11	A₂	210	201	0.00	0.23	0.75	0.86
12	B₁	3030	2906	134.31	103.50	0.75	0.86
13	B₁	1492	1431	13.70	0.01	0.75	0.86
14	B₁	1200	1151	7.05	0.73	0.75	0.86
15	B₁	243	233	5.32	0.01	0.75	0.86
16	B₂	3134	3006	30.37	71.44	0.75	0.86
17	B₂	2981	2859	56.11	1.64	0.75	0.86
18	B₂	1499	1438	13.60	2.90	0.75	0.86
19	B₂	1460	1400	2.47	2.99	0.75	0.86
20	B₂	1224	1174	124.37	0.51	0.75	0.86
21	B₂	1136	1090	22.07	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.162	-0.194
C3	0.000	-1.162	-0.194
H4	0.000	2.015	0.483
H5	0.000	-2.015	0.483
H6	0.889	1.219	-0.835
H7	-0.889	1.219	-0.835
H8	-0.889	-1.219	-0.835
H9	0.889	-1.219	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3999	1.3999	2.0175	2.0175	2.0728	2.0728	2.0728	2.0728
C2	1.3999		2.3241	1.0883	3.2481	1.0974	1.0974	2.6210	2.6210
C3	1.3999	2.3241		3.2481	1.0883	2.6210	2.6210	1.0974	1.0974
H4	2.0175	1.0883	3.2481		4.0297	1.7774	1.7774	3.6030	3.6030
H5	2.0175	3.2481	1.0883	4.0297		3.6030	3.6030	1.7774	1.7774
H6	2.0728	1.0974	2.6210	1.7774	3.6030		1.7777	3.0169	2.4375
H7	2.0728	1.0974	2.6210	1.7774	3.6030	1.7777		2.4375	3.0169
H8	2.0728	2.6210	1.0974	3.6030	1.7774	3.0169	2.4375		1.7777
H9	2.0728	2.6210	1.0974	3.6030	1.7774	2.4375	3.0169	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.701	O1	C2	H6	111.631
O1	C2	H7	111.631	O1	C3	H5	107.701
O1	C3	H8	111.631	O1	C3	H9	111.631
C2	O1	C3	112.225	H4	C2	H6	108.814
H4	C2	H7	108.814	H5	C3	H8	108.814
H5	C3	H9	108.814	H6	C2	H7	108.182
H8	C3	H9	108.182

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

using model chemistry: mPW1PW91/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	-0.265
2	C	-0.057
3	C	-0.057
4	H	0.092
5	H	0.092
6	H	0.049
7	H	0.049
8	H	0.049
9	H	0.049

<r²>	52.053
(<r²>)^1/2	7.215

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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