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	hartrees
Energy at 0K	-155.089864
Energy at 298.15K	-155.096519
HF Energy	-155.089864
Nuclear repulsion energy	83.902128

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	3107	3003	24.52	107.68	0.28	0.44
2	A₁	2969	2870	65.30	282.89	0.03	0.05
3	A₁	1517	1466	2.31	9.48	0.74	0.85
4	A₁	1490	1440	0.00	6.15	0.73	0.85
5	A₁	1268	1226	5.79	1.29	0.56	0.72
6	A₁	940	908	35.19	7.48	0.47	0.64
7	A₁	411	397	2.47	0.70	0.07	0.13
8	A₂	3005	2904	0.00	21.09	0.75	0.86
9	A₂	1482	1433	0.00	20.21	0.75	0.86
10	A₂	1163	1124	0.00	3.66	0.75	0.86
11	A₂	208	201	0.00	0.26	0.75	0.86
12	B₁	3000	2899	144.90	108.75	0.75	0.86
13	B₁	1491	1441	11.62	0.01	0.75	0.86
14	B₁	1194	1154	7.77	0.87	0.75	0.86
15	B₁	242	234	5.54	0.01	0.75	0.86
16	B₂	3105	3001	33.09	75.66	0.75	0.86
17	B₂	2957	2858	56.23	2.50	0.75	0.86
18	B₂	1498	1448	12.57	3.30	0.75	0.86
19	B₂	1460	1411	4.03	3.24	0.75	0.86
20	B₂	1194	1154	95.40	0.09	0.75	0.86
21	B₂	1119	1081	50.06	3.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.587
C2	0.000	1.173	-0.195
C3	0.000	-1.173	-0.195
H4	0.000	2.021	0.488
H5	0.000	-2.021	0.488
H6	0.890	1.232	-0.835
H7	-0.890	1.232	-0.835
H8	-0.890	-1.232	-0.835
H9	0.890	-1.232	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4100	1.4100	2.0232	2.0232	2.0813	2.0813	2.0813	2.0813
C2	1.4100		2.3464	1.0884	3.2662	1.0976	1.0976	2.6431	2.6431
C3	1.4100	2.3464		3.2662	1.0884	2.6431	2.6431	1.0976	1.0976
H4	2.0232	1.0884	3.2662		4.0416	1.7788	1.7788	3.6224	3.6224
H5	2.0232	3.2662	1.0884	4.0416		3.6224	3.6224	1.7788	1.7788
H6	2.0813	1.0976	2.6431	1.7788	3.6224		1.7794	3.0392	2.4639
H7	2.0813	1.0976	2.6431	1.7788	3.6224	1.7794		2.4639	3.0392
H8	2.0813	2.6431	1.0976	3.6224	1.7788	3.0392	2.4639		1.7794
H9	2.0813	2.6431	1.0976	3.6224	1.7788	2.4639	3.0392	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.458	O1	C2	H6	111.592
O1	C2	H7	111.592	O1	C3	H5	107.458
O1	C3	H8	111.592	O1	C3	H9	111.592
C2	O1	C3	112.628	H4	C2	H6	108.918
H4	C2	H7	108.918	H5	C3	H8	108.918
H5	C3	H9	108.918	H6	C2	H7	108.301
H8	C3	H9	108.301

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

using model chemistry: B3LYP/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	-0.285
2	C	-0.073
3	C	-0.073
4	H	0.103
5	H	0.103
6	H	0.056
7	H	0.056
8	H	0.056
9	H	0.056

	x	y	z	Total
	0.000	0.000	-1.208	1.208
CHELPG
AIM
ESP	0.021	0.000	-1.258	1.258

<r²>	52.716
(<r²>)^1/2	7.261

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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