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	hartrees
Energy at 0K	-155.086948
Energy at 298.15K	-155.093613
HF Energy	-155.086948
Nuclear repulsion energy	83.775150

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	3117	3003	23.24	106.54	0.29	0.45
2	A₁	2973	2865	68.49	280.65	0.03	0.06
3	A₁	1519	1463	1.38	10.58	0.75	0.86
4	A₁	1491	1437	0.52	9.45	0.75	0.86
5	A₁	1267	1221	4.04	2.92	0.65	0.79
6	A₁	933	899	39.64	8.35	0.50	0.67
7	A₁	411	396	2.17	0.69	0.07	0.13
8	A₂	3010	2900	0.00	19.71	0.75	0.86
9	A₂	1479	1425	0.00	30.43	0.75	0.86
10	A₂	1158	1115	0.00	9.79	0.75	0.86
11	A₂	215	207	0.00	0.67	0.75	0.86
12	B₁	3006	2896	148.32	111.48	0.75	0.86
13	B₁	1489	1434	12.85	0.14	0.75	0.86
14	B₁	1192	1148	6.43	1.85	0.75	0.86
15	B₁	246	237	7.12	0.11	0.75	0.86
16	B₂	3116	3002	33.51	76.95	0.75	0.86
17	B₂	2961	2853	55.24	2.07	0.75	0.86
18	B₂	1496	1441	13.74	3.68	0.75	0.86
19	B₂	1466	1412	3.82	5.31	0.75	0.86
20	B₂	1191	1147	89.02	0.01	0.75	0.86
21	B₂	1115	1074	52.94	6.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.588
C2	0.000	1.175	-0.195
C3	0.000	-1.175	-0.195
H4	0.000	2.022	0.489
H5	0.000	-2.022	0.489
H6	0.891	1.235	-0.835
H7	-0.891	1.235	-0.835
H8	-0.891	-1.235	-0.835
H9	0.891	-1.235	-0.835

	O1	C2	C3	H4	H5	H6	H7	H8	H9
O1		1.4125	1.4125	2.0247	2.0247	2.0845	2.0845	2.0845	2.0845
C2	1.4125		2.3504	1.0892	3.2700	1.0988	1.0988	2.6479	2.6479
C3	1.4125	2.3504		3.2700	1.0892	2.6479	2.6479	1.0988	1.0988
H4	2.0247	1.0892	3.2700		4.0446	1.7803	1.7803	3.6273	3.6273
H5	2.0247	3.2700	1.0892	4.0446		3.6273	3.6273	1.7803	1.7803
H6	2.0845	1.0988	2.6479	1.7803	3.6273		1.7824	3.0455	2.4694
H7	2.0845	1.0988	2.6479	1.7803	3.6273	1.7824		2.4694	3.0455
H8	2.0845	2.6479	1.0988	3.6273	1.7803	3.0455	2.4694		1.7824
H9	2.0845	2.6479	1.0988	3.6273	1.7803	2.4694	3.0455	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	H4	107.357	O1	C2	H6	111.601
O1	C2	H7	111.601	O1	C3	H5	107.357
O1	C3	H8	111.601	O1	C3	H9	111.601
C2	O1	C3	112.611	H4	C2	H6	108.906
H4	C2	H7	108.906	H5	C3	H8	108.906
H5	C3	H9	108.906	H6	C2	H7	108.406
H8	C3	H9	108.406

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

using model chemistry: B3LYPultrafine/TZVP

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	-0.302
2	C	-0.170
3	C	-0.170
4	H	0.131
5	H	0.131
6	H	0.095
7	H	0.095
8	H	0.095
9	H	0.095

<r²>	52.882
(<r²>)^1/2	7.272

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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