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	hartrees
Energy at 0K	-154.963548
Energy at 298.15K	-154.970167
HF Energy	-154.963548
Nuclear repulsion energy	84.127294

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	3155	3155	22.25	100.77	0.31	0.48
2	A₁	3003	3003	64.27	340.02	0.02	0.03
3	A₁	1488	1488	4.15	4.81	0.72	0.84
4	A₁	1456	1456	0.11	3.48	0.73	0.85
5	A₁	1256	1256	7.44	0.41	0.73	0.85
6	A₁	971	971	35.85	7.89	0.33	0.49
7	A₁	402	402	2.32	1.11	0.12	0.21
8	A₂	3058	3058	0.00	19.41	0.75	0.86
9	A₂	1455	1455	0.00	12.29	0.75	0.86
10	A₂	1149	1149	0.00	1.64	0.75	0.86
11	A₂	197	197	0.00	0.19	0.75	0.86
12	B₁	3052	3052	127.04	105.07	0.75	0.86
13	B₁	1464	1464	15.32	0.06	0.75	0.86
14	B₁	1178	1178	7.17	0.01	0.75	0.86
15	B₁	231	231	4.99	0.01	0.75	0.86
16	B₂	3155	3155	29.09	67.66	0.75	0.86
17	B₂	2992	2992	62.87	1.61	0.75	0.86
18	B₂	1469	1469	13.37	1.46	0.75	0.86
19	B₂	1427	1427	0.91	1.70	0.75	0.86
20	B₂	1219	1219	128.44	0.86	0.75	0.86
21	B₂	1121	1121	16.55	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.589
C2	0.000	1.164	-0.195
C3	0.000	-1.164	-0.195
H4	0.000	2.019	0.486
H5	0.000	-2.019	0.486
H6	0.894	1.216	-0.837
H7	-0.894	1.216	-0.837
H8	-0.894	-1.216	-0.837
H9	0.894	-1.216	-0.837

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4036	1.4036	2.0219	2.0219	2.0766	2.0766	2.0766	2.0766
C2	1.4036		2.3281	1.0930	3.2553	1.1019	1.1019	2.6222	2.6222
C3	1.4036	2.3281		3.2553	1.0930	2.6222	2.6222	1.1019	1.1019
H4	2.0219	1.0930	3.2553		4.0385	1.7872	1.7872	3.6076	3.6076
H5	2.0219	3.2553	1.0930	4.0385		3.6076	3.6076	1.7872	1.7872
H6	2.0766	1.1019	2.6222	1.7872	3.6076		1.7879	3.0184	2.4318
H7	2.0766	1.1019	2.6222	1.7872	3.6076	1.7879		2.4318	3.0184
H8	2.0766	2.6222	1.1019	3.6076	1.7872	3.0184	2.4318		1.7879
H9	2.0766	2.6222	1.1019	3.6076	1.7872	2.4318	3.0184	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.508	O1	C2	H6	111.385
O1	C2	H7	111.385	O1	C3	H5	107.508
O1	C3	H8	111.385	O1	C3	H9	111.385
C2	O1	C3	112.056	H4	C2	H6	109.030
H4	C2	H7	109.030	H5	C3	H8	109.030
H5	C3	H9	109.030	H6	C2	H7	108.452
H8	C3	H9	108.452

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

using model chemistry: B1B95/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	-0.577
2	C	1.223
3	C	1.223
4	H	-0.324
5	H	-0.324
6	H	-0.305
7	H	-0.305
8	H	-0.305
9	H	-0.305

<r²>	52.357
(<r²>)^1/2	7.236

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

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

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