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	hartrees
Energy at 0K	-154.064745
Energy at 298.15K	-154.071541
HF Energy	-154.064745
Nuclear repulsion energy	84.761272

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	3305	2970	45.18	96.08	0.35	0.52
2	A₁	3180	2857	63.45	203.49	0.05	0.09
3	A₁	1671	1501	0.01	15.87	0.75	0.86
4	A₁	1650	1483	0.32	17.76	0.74	0.85
5	A₁	1402	1260	12.41	3.82	0.45	0.62
6	A₁	1045	939	41.36	12.85	0.39	0.57
7	A₁	444	399	3.22	0.47	0.02	0.04
8	A₂	3216	2890	0.00	10.40	0.75	0.86
9	A₂	1640	1473	0.00	38.32	0.75	0.86
10	A₂	1281	1151	0.00	7.30	0.75	0.86
11	A₂	214	193	0.00	0.10	0.75	0.86
12	B₁	3219	2892	181.22	98.46	0.75	0.86
13	B₁	1651	1483	6.84	0.46	0.75	0.86
14	B₁	1316	1183	13.54	3.22	0.75	0.86
15	B₁	266	239	8.77	0.09	0.75	0.86
16	B₂	3303	2967	53.19	79.45	0.75	0.86
17	B₂	3164	2843	52.36	0.30	0.75	0.86
18	B₂	1652	1484	9.67	2.48	0.75	0.86
19	B₂	1612	1449	18.01	7.63	0.75	0.86
20	B₂	1349	1212	161.53	0.41	0.75	0.86
21	B₂	1234	1109	37.13	5.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.571
C2	0.000	1.166	-0.189
C3	0.000	-1.166	-0.189
H4	0.000	2.003	0.495
H5	0.000	-2.003	0.495
H6	0.883	1.229	-0.823
H7	-0.883	1.229	-0.823
H8	-0.883	-1.229	-0.823
H9	0.883	-1.229	-0.823

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.3913	1.3913	2.0046	2.0046	2.0570	2.0570	2.0570	2.0570
C2	1.3913		2.3316	1.0814	3.2420	1.0889	1.0889	2.6298	2.6298
C3	1.3913	2.3316		3.2420	1.0814	2.6298	2.6298	1.0889	1.0889
H4	2.0046	1.0814	3.2420		4.0063	1.7654	1.7654	3.6004	3.6004
H5	2.0046	3.2420	1.0814	4.0063		3.6004	3.6004	1.7654	1.7654
H6	2.0570	1.0889	2.6298	1.7654	3.6004		1.7664	3.0267	2.4578
H7	2.0570	1.0889	2.6298	1.7654	3.6004	1.7664		2.4578	3.0267
H8	2.0570	2.6298	1.0889	3.6004	1.7654	3.0267	2.4578		1.7664
H9	2.0570	2.6298	1.0889	3.6004	1.7654	2.4578	3.0267	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.663	O1	C2	H6	111.485
O1	C2	H7	111.485	O1	C3	H5	107.663
O1	C3	H8	111.485	O1	C3	H9	111.485
C2	O1	C3	113.834	H4	C2	H6	108.869
H4	C2	H7	108.869	H5	C3	H8	108.869
H5	C3	H9	108.869	H6	C2	H7	108.408
H8	C3	H9	108.408

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

using model chemistry: HF/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	-0.590
2	C	-0.161
3	C	-0.161
4	H	0.177
5	H	0.177
6	H	0.140
7	H	0.140
8	H	0.140
9	H	0.140

	x	y	z	Total
	0.000	0.000	-1.477	1.477
CHELPG	0.000	0.000	-1.501	1.501
AIM
ESP	0.019	0.000	-1.517	1.517

<r²>	51.833
(<r²>)^1/2	7.200

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

using model chemistry: HF/6-31G*

States and conformations

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