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	hartrees
Energy at 0K	-229.911385
Energy at 298.15K	-229.918280
Nuclear repulsion energy	132.362752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3065	3030	0.00
2	A_g	2946	2912	0.00
3	A_g	1473	1456	0.00
4	A_g	1396	1380	0.00
5	A_g	1222	1208	0.00
6	A_g	1007	995	0.00
7	A_g	784	776	0.00
8	A_g	464	458	0.00
9	A_u	3014	2979	90.15
10	A_u	1405	1389	15.76
11	A_u	1133	1120	0.76
12	A_u	206	203	4.80
13	A_u	46	46	11.74
14	B_g	3014	2979	0.00
15	B_g	1403	1387	0.00
16	B_g	1137	1124	0.00
17	B_g	259	256	0.00
18	B_u	3065	3030	22.64
19	B_u	2943	2909	109.63
20	B_u	1466	1449	30.90
21	B_u	1388	1373	0.88
22	B_u	1125	1112	19.63
23	B_u	1026	1015	77.04
24	B_u	291	288	13.28

Atom	x (Å)	y (Å)	z (Å)
O1	-0.446	0.599	0.000
O2	0.446	-0.599	0.000
C3	0.446	1.702	0.000
C4	-0.446	-1.702	0.000
H5	-0.218	2.583	0.000
H6	1.079	1.713	0.906
H7	1.079	1.713	-0.906
H8	0.218	-2.583	0.000
H9	-1.079	-1.713	0.906
H10	-1.079	-1.713	-0.906

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4939	1.4185	2.3014	1.9965	2.0948	2.0948	3.2503	2.5628	2.5628
O2	1.4939		2.3014	1.4185	3.2503	2.5628	2.5628	1.9965	2.0948	2.0948
C3	1.4185	2.3014		3.5193	1.1025	1.1059	1.1059	4.2909	3.8484	3.8484
C4	2.3014	1.4185	3.5193		4.2909	3.8484	3.8484	1.1025	1.1059	1.1059
H5	1.9965	3.2503	1.1025	4.2909		1.8058	1.8058	5.1835	4.4737	4.4737
H6	2.0948	2.5628	1.1059	3.8484	1.8058		1.8129	4.4737	4.0489	4.4362
H7	2.0948	2.5628	1.1059	3.8484	1.8058	1.8129		4.4737	4.4362	4.0489
H8	3.2503	1.9965	4.2909	1.1025	5.1835	4.4737	4.4737		1.8058	1.8058
H9	2.5628	2.0948	3.8484	1.1059	4.4737	4.0489	4.4362	1.8058		1.8129
H10	2.5628	2.0948	3.8484	1.1059	4.4737	4.4362	4.0489	1.8058	1.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.382	O1	C3	H5	104.031
O1	C3	H6	111.564	O1	C3	H7	111.564
O2	O1	C3	104.382	O2	C4	H8	104.031
O2	C4	H9	111.564	O2	C4	H10	111.564
H5	C3	H6	109.707	H5	C3	H7	109.707
H6	C3	H7	110.100	H8	C4	H9	109.707
H8	C4	H10	109.707	H9	C4	H10	110.100

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: PBEPBE/6-31+G**

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	-0.180
2	O	-0.180
3	C	-0.320
4	C	-0.320
5	H	0.171
6	H	0.165
7	H	0.165
8	H	0.171
9	H	0.165
10	H	0.165

	x	y	z
x	5.176	0.357	0.000
y	0.357	7.634	0.000
z	0.000	0.000	4.849

<r²>	93.998
(<r²>)^1/2	9.695

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)