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	hartrees
Energy at 0K	-229.009658
Energy at 298.15K	-229.016586
Nuclear repulsion energy	135.289276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3067	3018	0.00
2	A_g	2925	2878	0.00
3	A_g	1456	1433	0.00
4	A_g	1372	1350	0.00
5	A_g	1247	1227	0.00
6	A_g	1080	1063	0.00
7	A_g	863	849	0.00
8	A_g	487	480	0.00
9	A_u	2985	2937	76.82
10	A_u	1372	1350	16.45
11	A_u	1134	1116	0.35
12	A_u	202	199	3.65
13	A_u	23	22	7.83
14	B_g	2985	2937	0.00
15	B_g	1370	1348	0.00
16	B_g	1144	1125	0.00
17	B_g	264	260	0.00
18	B_u	3066	3017	11.88
19	B_u	2921	2874	96.10
20	B_u	1447	1424	29.75
21	B_u	1363	1341	0.24
22	B_u	1140	1122	62.48
23	B_u	1092	1074	37.89
24	B_u	300	295	11.42

Atom	x (Å)	y (Å)	z (Å)
O1	-0.433	0.575	0.000
O2	0.433	-0.575	0.000
C3	0.433	1.657	0.000
C4	-0.433	-1.657	0.000
H5	-0.219	2.546	0.000
H6	1.076	1.672	0.903
H7	1.076	1.672	-0.903
H8	0.219	-2.546	0.000
H9	-1.076	-1.672	0.903
H10	-1.076	-1.672	-0.903

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4404	1.3859	2.2323	1.9824	2.0729	2.0729	3.1888	2.5059	2.5059
O2	1.4404		2.2323	1.3859	3.1888	2.5059	2.5059	1.9824	2.0729	2.0729
C3	1.3859	2.2323		3.4254	1.1025	1.1086	1.1086	4.2086	3.7652	3.7652
C4	2.2323	1.3859	3.4254		4.2086	3.7652	3.7652	1.1025	1.1086	1.1086
H5	1.9824	3.1888	1.1025	4.2086		1.8045	1.8045	5.1110	4.3982	4.3982
H6	2.0729	2.5059	1.1086	3.7652	1.8045		1.8055	4.3982	3.9773	4.3679
H7	2.0729	2.5059	1.1086	3.7652	1.8045	1.8055		4.3982	4.3679	3.9773
H8	3.1888	1.9824	4.2086	1.1025	5.1110	4.3982	4.3982		1.8045	1.8045
H9	2.5059	2.0729	3.7652	1.1086	4.3982	3.9773	4.3679	1.8045		1.8055
H10	2.5059	2.0729	3.7652	1.1086	4.3982	4.3679	3.9773	1.8045	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.323	O1	C3	H5	105.056
O1	C3	H6	111.924	O1	C3	H7	111.924
O2	O1	C3	104.323	O2	C4	H8	105.056
O2	C4	H9	111.924	O2	C4	H10	111.924
H5	C3	H6	109.396	H5	C3	H7	109.396
H6	C3	H7	109.044	H8	C4	H9	109.396
H8	C4	H10	109.396	H9	C4	H10	109.044

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.124
2	O	-0.124
3	C	-0.334
4	C	-0.334
5	H	0.168
6	H	0.145
7	H	0.145
8	H	0.168
9	H	0.145
10	H	0.145

	x	y	z
x	4.564	0.390	0.000
y	0.390	7.011	0.000
z	0.000	0.000	4.364

<r²>	90.115
(<r²>)^1/2	9.493

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)