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	hartrees
Energy at 0K	-229.956725
Energy at 298.15K	-229.963578
Nuclear repulsion energy	132.662264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3049	3022	0.00
2	A_g	2929	2903	0.00
3	A_g	1471	1458	0.00
4	A_g	1395	1382	0.00
5	A_g	1224	1213	0.00
6	A_g	1006	997	0.00
7	A_g	779	772	0.00
8	A_g	464	460	0.00
9	A_u	2987	2959	113.82
10	A_u	1395	1382	14.75
11	A_u	1132	1122	0.74
12	A_u	204	202	3.78
13	A_u	21	21	9.66
14	B_g	2986	2959	0.00
15	B_g	1393	1380	0.00
16	B_g	1138	1128	0.00
17	B_g	259	257	0.00
18	B_u	3049	3021	28.44
19	B_u	2925	2899	114.06
20	B_u	1464	1450	30.55
21	B_u	1387	1374	1.40
22	B_u	1127	1117	18.16
23	B_u	1026	1016	81.68
24	B_u	289	287	11.37

Atom	x (Å)	y (Å)	z (Å)
O1	-0.445	0.598	0.000
O2	0.445	-0.598	0.000
C3	0.445	1.697	0.000
C4	-0.445	-1.697	0.000
H5	-0.214	2.579	0.000
H6	1.080	1.709	0.904
H7	1.080	1.709	-0.904
H8	0.214	-2.579	0.000
H9	-1.080	-1.709	0.904
H10	-1.080	-1.709	-0.904

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4909	1.4140	2.2956	1.9944	2.0919	2.0919	3.2450	2.5582	2.5582
O2	1.4909		2.2956	1.4140	3.2450	2.5582	2.5582	1.9944	2.0919	2.0919
C3	1.4140	2.2956		3.5093	1.1007	1.1048	1.1048	4.2828	3.8401	3.8401
C4	2.2956	1.4140	3.5093		4.2828	3.8401	3.8401	1.1007	1.1048	1.1048
H5	1.9944	3.2450	1.1007	4.2828		1.8023	1.8023	5.1761	4.4673	4.4673
H6	2.0919	2.5582	1.1048	3.8401	1.8023		1.8077	4.4673	4.0435	4.4292
H7	2.0919	2.5582	1.1048	3.8401	1.8023	1.8077		4.4673	4.4292	4.0435
H8	3.2450	1.9944	4.2828	1.1007	5.1761	4.4673	4.4673		1.8023	1.8023
H9	2.5582	2.0919	3.8401	1.1048	4.4673	4.0435	4.4292	1.8023		1.8077
H10	2.5582	2.0919	3.8401	1.1048	4.4673	4.4292	4.0435	1.8023	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.388	O1	C3	H5	104.260
O1	C3	H6	111.714	O1	C3	H7	111.714
O2	O1	C3	104.388	O2	C4	H8	104.260
O2	C4	H9	111.714	O2	C4	H10	111.714
H5	C3	H6	109.605	H5	C3	H7	109.605
H6	C3	H7	109.793	H8	C4	H9	109.605
H8	C4	H10	109.605	H9	C4	H10	109.793

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: PBEPBE/6-311G**

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	-0.226
2	O	-0.226
3	C	-0.127
4	C	-0.127
5	H	0.128
6	H	0.113
7	H	0.113
8	H	0.128
9	H	0.113
10	H	0.113

	x	y	z
x	4.714	0.429	0.000
y	0.429	7.346	0.000
z	0.000	0.000	4.376

<r²>	93.473
(<r²>)^1/2	9.668

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)