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	hartrees
Energy at 0K	-230.108493
Energy at 298.15K	-230.115303
Nuclear repulsion energy	131.988714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3030	3013	0.00
2	A_g	2922	2905	0.00
3	A_g	1484	1476	0.00
4	A_g	1409	1401	0.00
5	A_g	1223	1217	0.00
6	A_g	989	984	0.00
7	A_g	778	774	0.00
8	A_g	457	455	0.00
9	A_u	2973	2957	107.20
10	A_u	1411	1404	7.43
11	A_u	1140	1134	1.46
12	A_u	200	199	3.06
13	A_u	14	14	8.02
14	B_g	2973	2957	0.00
15	B_g	1410	1402	0.00
16	B_g	1146	1140	0.00
17	B_g	256	254	0.00
18	B_u	3030	3013	31.20
19	B_u	2918	2902	107.58
20	B_u	1476	1468	29.23
21	B_u	1398	1390	7.56
22	B_u	1131	1125	13.23
23	B_u	1002	997	79.69
24	B_u	288	287	10.00

Atom	x (Å)	y (Å)	z (Å)
O1	-0.448	0.604	0.000
O2	0.448	-0.604	0.000
C3	0.448	1.706	0.000
C4	-0.448	-1.706	0.000
H5	-0.207	2.592	0.000
H6	1.086	1.718	0.903
H7	1.086	1.718	-0.903
H8	0.207	-2.592	0.000
H9	-1.086	-1.718	0.903
H10	-1.086	-1.718	-0.903

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.5035	1.4212	2.3098	2.0026	2.1002	2.1002	3.2617	2.5712	2.5712
O2	1.5035		2.3098	1.4212	3.2617	2.5712	2.5712	2.0026	2.1002	2.1002
C3	1.4212	2.3098		3.5283	1.1017	1.1053	1.1053	4.3046	3.8593	3.8593
C4	2.3098	1.4212	3.5283		4.3046	3.8593	3.8593	1.1017	1.1053	1.1053
H5	2.0026	3.2617	1.1017	4.3046		1.8031	1.8031	5.1998	4.4899	4.4899
H6	2.1002	2.5712	1.1053	3.8593	1.8031		1.8053	4.4899	4.0650	4.4478
H7	2.1002	2.5712	1.1053	3.8593	1.8031	1.8053		4.4899	4.4478	4.0650
H8	3.2617	2.0026	4.3046	1.1017	5.1998	4.4899	4.4899		1.8031	1.8031
H9	2.5712	2.1002	3.8593	1.1053	4.4899	4.0650	4.4478	1.8031		1.8053
H10	2.5712	2.1002	3.8593	1.1053	4.4899	4.4478	4.0650	1.8031	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.289	O1	C3	H5	104.368
O1	C3	H6	111.852	O1	C3	H7	111.852
O2	O1	C3	104.289	O2	C4	H8	104.368
O2	C4	H9	111.852	O2	C4	H10	111.852
H5	C3	H6	109.568	H5	C3	H7	109.568
H6	C3	H7	109.500	H8	C4	H9	109.568
H8	C4	H10	109.568	H9	C4	H10	109.500

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: BLYP/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	-0.148
2	O	-0.148
3	C	-0.181
4	C	-0.181
5	H	0.120
6	H	0.105
7	H	0.105
8	H	0.120
9	H	0.105
10	H	0.105

	x	y	z
x	4.576	0.381	0.000
y	0.381	7.379	0.000
z	0.000	0.000	4.286

<r²>	94.153
(<r²>)^1/2	9.703

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

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

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)