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	hartrees
Energy at 0K	-230.135573
Energy at 298.15K	-230.142548
Nuclear repulsion energy	134.207130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3131	3016	0.00
2	A_g	3013	2902	0.00
3	A_g	1516	1460	0.00
4	A_g	1449	1395	0.00
5	A_g	1272	1225	0.00
6	A_g	1084	1044	0.00
7	A_g	854	823	0.00
8	A_g	489	471	0.00
9	A_u	3078	2964	100.07
10	A_u	1450	1397	15.08
11	A_u	1172	1129	1.34
12	A_u	207	199	3.53
13	A_u	23	22	11.28
14	B_g	3078	2964	0.00
15	B_g	1449	1395	0.00
16	B_g	1178	1134	0.00
17	B_g	263	253	0.00
18	B_u	3131	3015	30.73
19	B_u	3009	2898	102.66
20	B_u	1509	1453	27.14
21	B_u	1440	1387	3.11
22	B_u	1173	1130	14.54
23	B_u	1075	1035	107.45
24	B_u	302	291	11.53

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.581	0.000
O2	0.435	-0.581	0.000
C3	0.435	1.685	0.000
C4	-0.435	-1.685	0.000
H5	-0.223	2.557	0.000
H6	1.065	1.698	0.897
H7	1.065	1.698	-0.897
H8	0.223	-2.557	0.000
H9	-1.065	-1.698	0.897
H10	-1.065	-1.698	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4519	1.4055	2.2667	1.9874	2.0737	2.0737	3.2068	2.5289	2.5289
O2	1.4519		2.2667	1.4055	3.2068	2.5289	2.5289	1.9874	2.0737	2.0737
C3	1.4055	2.2667		3.4812	1.0923	1.0960	1.0960	4.2480	3.8078	3.8078
C4	2.2667	1.4055	3.4812		4.2480	3.8078	3.8078	1.0923	1.0960	1.0960
H5	1.9874	3.2068	1.0923	4.2480		1.7894	1.7894	5.1340	4.4293	4.4293
H6	2.0737	2.5289	1.0960	3.8078	1.7894		1.7934	4.4293	4.0083	4.3913
H7	2.0737	2.5289	1.0960	3.8078	1.7894	1.7934		4.4293	4.3913	4.0083
H8	3.2068	1.9874	4.2480	1.0923	5.1340	4.4293	4.4293		1.7894	1.7894
H9	2.5289	2.0737	3.8078	1.0960	4.4293	4.0083	4.3913	1.7894		1.7934
H10	2.5289	2.0737	3.8078	1.0960	4.4293	4.3913	4.0083	1.7894	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.968	O1	C3	H5	104.736
O1	C3	H6	111.387	O1	C3	H7	111.387
O2	O1	C3	104.968	O2	C4	H8	104.736
O2	C4	H9	111.387	O2	C4	H10	111.387
H5	C3	H6	109.709	H5	C3	H7	109.709
H6	C3	H7	109.796	H8	C4	H9	109.709
H8	C4	H10	109.709	H9	C4	H10	109.796

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3PW91/6-311G**

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	-0.247
2	O	-0.247
3	C	-0.104
4	C	-0.104
5	H	0.126
6	H	0.113
7	H	0.113
8	H	0.126
9	H	0.113
10	H	0.113

	x	y	z
x	4.450	0.274	0.000
y	0.274	6.752	0.000
z	0.000	0.000	4.158

<r²>	91.670
(<r²>)^1/2	9.574

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)