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	hartrees
Energy at 0K	-152.782083
Energy at 298.15K	-152.788701
HF Energy	-152.731246
Nuclear repulsion energy	81.918779

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	3486	3486	4.58	34.95	0.60	0.75
2	A₁	3275	3275	8.84	76.99	0.01	0.02
3	A₁	1707	1707	0.56	26.74	0.75	0.86
4	A₁	1637	1637	0.23	5.51	0.74	0.85
5	A₁	1348	1348	0.00	3.80	0.60	0.75
6	A₁	1001	1001	2.81	9.08	0.31	0.47
7	A₁	466	466	0.88	0.58	0.13	0.24
8	A₂	3424	3424	0.00	7.24	0.75	0.86
9	A₂	1680	1680	0.00	32.21	0.75	0.86
10	A₂	1198	1198	0.00	5.33	0.75	0.86
11	A₂	236	236	0.00	0.03	0.75	0.86
12	B₁	3420	3420	28.27	41.40	0.75	0.86
13	B₁	1679	1679	6.15	2.57	0.75	0.86
14	B₁	1216	1216	4.98	2.88	0.75	0.86
15	B₁	270	270	3.20	0.01	0.75	0.86
16	B₂	3483	3483	0.13	31.60	0.75	0.86
17	B₂	3275	3275	17.67	0.11	0.75	0.86
18	B₂	1703	1703	7.04	0.37	0.75	0.86
19	B₂	1599	1599	18.83	6.49	0.75	0.86
20	B₂	1261	1261	17.88	1.63	0.75	0.86
21	B₂	1180	1180	0.05	3.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.652
C2	0.000	1.177	-0.218
C3	0.000	-1.177	-0.218
H4	0.000	2.064	0.442
H5	0.000	-2.064	0.442
H6	0.898	1.220	-0.870
H7	-0.898	1.220	-0.870
H8	-0.898	-1.220	-0.870
H9	0.898	-1.220	-0.870

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4640	1.4640	2.0742	2.0742	2.1478	2.1478	2.1478	2.1478
C2	1.4640		2.3546	1.1053	3.3075	1.1109	1.1109	2.6421	2.6421
C3	1.4640	2.3546		3.3075	1.1053	2.6421	2.6421	1.1109	1.1109
H4	2.0742	1.1053	3.3075		4.1271	1.8002	1.8002	3.6488	3.6488
H5	2.0742	3.3075	1.1053	4.1271		3.6488	3.6488	1.8002	1.8002
H6	2.1478	1.1109	2.6421	1.8002	3.6488		1.7967	3.0307	2.4407
H7	2.1478	1.1109	2.6421	1.8002	3.6488	1.7967		2.4407	3.0307
H8	2.1478	2.6421	1.1109	3.6488	1.8002	3.0307	2.4407		1.7967
H9	2.1478	2.6421	1.1109	3.6488	1.8002	2.4407	3.0307	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	106.838	O1	C2	H6	112.337
O1	C2	H7	112.337	O1	C3	H5	106.838
O1	C3	H8	112.337	O1	C3	H9	112.337
C2	O1	C3	107.065	H4	C2	H6	108.642
H4	C2	H7	108.642	H5	C3	H8	108.642
H5	C3	H9	108.642	H6	C2	H7	107.936
H8	C3	H9	107.936

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

using model chemistry: B2PLYP/STO-3G

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	-0.191
2	C	-0.105
3	C	-0.105
4	H	0.076
5	H	0.076
6	H	0.062
7	H	0.062
8	H	0.062
9	H	0.062

<r²>	53.100
(<r²>)^1/2	7.287

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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