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	hartrees
Energy at 0K	-46.702422
Energy at 298.15K	-46.709240
Nuclear repulsion energy	76.288572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3149	3050	0.00
2	A_g	3032	2936	0.00
3	A_g	1520	1472	0.00
4	A_g	1450	1404	0.00
5	A_g	1227	1188	0.00
6	A_g	1019	987	0.00
7	A_g	805	779	0.00
8	A_g	447	432	0.00
9	A_u	3130	3031	146.39
10	A_u	1464	1418	16.06
11	A_u	1143	1107	0.01
12	A_u	185	179	4.54
13	A_u	56	54	20.73
14	B_g	3129	3030	0.00
15	B_g	1463	1417	0.00
16	B_g	1143	1107	0.00
17	B_g	230	222	0.00
18	B_u	3149	3050	73.77
19	B_u	3028	2932	115.75
20	B_u	1514	1466	28.56
21	B_u	1441	1395	0.61
22	B_u	1142	1106	5.32
23	B_u	994	962	75.54
24	B_u	274	265	17.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.458	0.610	0.000
O2	0.458	-0.610	0.000
C3	0.458	1.751	0.000
C4	-0.458	-1.751	0.000
H5	-0.206	2.631	0.000
H6	1.088	1.744	0.906
H7	1.088	1.744	-0.906
H8	0.206	-2.631	0.000
H9	-1.088	-1.744	0.906
H10	-1.088	-1.744	-0.906

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.5258	1.4641	2.3608	2.0366	2.1210	2.1210	3.3079	2.5991	2.5991
O2	1.5258		2.3608	1.4641	3.3079	2.5991	2.5991	2.0366	2.1210	2.1210
C3	1.4641	2.3608		3.6202	1.1025	1.1034	1.1034	4.3890	3.9275	3.9275
C4	2.3608	1.4641	3.6202		4.3890	3.9275	3.9275	1.1025	1.1034	1.1034
H5	2.0366	3.3079	1.1025	4.3890		1.8120	1.8120	5.2775	4.5533	4.5533
H6	2.1210	2.5991	1.1034	3.9275	1.8120		1.8124	4.5533	4.1104	4.4922
H7	2.1210	2.5991	1.1034	3.9275	1.8120	1.8124		4.5533	4.4922	4.1104
H8	3.3079	2.0366	4.3890	1.1025	5.2775	4.5533	4.5533		1.8120	1.8120
H9	2.5991	2.1210	3.9275	1.1034	4.5533	4.1104	4.4922	1.8120		1.8124
H10	2.5991	2.1210	3.9275	1.1034	4.5533	4.4922	4.1104	1.8120	1.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.278	O1	C3	H5	104.142
O1	C3	H6	110.612	O1	C3	H7	110.612
O2	O1	C3	104.278	O2	C4	H8	104.142
O2	C4	H9	110.612	O2	C4	H10	110.612
H5	C3	H6	110.453	H5	C3	H7	110.453
H6	C3	H7	110.416	H8	C4	H9	110.453
H8	C4	H10	110.453	H9	C4	H10	110.416

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/CEP-31G

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	-0.198
2	O	-0.198
3	C	-0.361
4	C	-0.361
5	H	0.201
6	H	0.180
7	H	0.180
8	H	0.201
9	H	0.180
10	H	0.180

	x	y	z
x	3.931	0.055	0.000
y	0.055	6.702	0.000
z	0.000	0.000	3.401

<r²>	81.319
(<r²>)^1/2	9.018

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)