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	hartrees
Energy at 0K	-230.071374
Energy at 298.15K	-230.078341
Nuclear repulsion energy	134.167983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3017	0.00
2	A_g	3037	2905	0.00
3	A_g	1547	1480	0.00
4	A_g	1474	1410	0.00
5	A_g	1284	1229	0.00
6	A_g	1103	1055	0.00
7	A_g	867	830	0.00
8	A_g	492	470	0.00
9	A_u	3104	2969	101.23
10	A_u	1485	1421	10.12
11	A_u	1187	1136	1.01
12	A_u	212	203	3.82
13	A_u	13	13	10.99
14	B_g	3103	2969	0.00
15	B_g	1484	1420	0.00
16	B_g	1193	1141	0.00
17	B_g	270	258	0.00
18	B_u	3154	3017	33.57
19	B_u	3033	2902	100.00
20	B_u	1540	1473	26.45
21	B_u	1464	1400	6.87
22	B_u	1185	1134	13.70
23	B_u	1093	1045	103.36
24	B_u	306	292	11.42

Atom	x (Å)	y (Å)	z (Å)
O1	-0.437	0.581	0.000
O2	0.437	-0.581	0.000
C3	0.437	1.682	0.000
C4	-0.437	-1.682	0.000
H5	-0.220	2.557	0.000
H6	1.070	1.694	0.897
H7	1.070	1.694	-0.897
H8	0.220	-2.557	0.000
H9	-1.070	-1.694	0.897
H10	-1.070	-1.694	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4542	1.4059	2.2631	1.9880	2.0772	2.0772	3.2062	2.5262	2.5262
O2	1.4542		2.2631	1.4059	3.2062	2.5262	2.5262	1.9880	2.0772	2.0772
C3	1.4059	2.2631		3.4759	1.0942	1.0979	1.0979	4.2447	3.8045	3.8045
C4	2.2631	1.4059	3.4759		4.2447	3.8045	3.8045	1.0942	1.0979	1.0979
H5	1.9880	3.2062	1.0942	4.2447		1.7924	1.7924	5.1331	4.4272	4.4272
H6	2.0772	2.5262	1.0979	3.8045	1.7924		1.7947	4.4272	4.0071	4.3907
H7	2.0772	2.5262	1.0979	3.8045	1.7924	1.7947		4.4272	4.3907	4.0071
H8	3.2062	1.9880	4.2447	1.0942	5.1331	4.4272	4.4272		1.7924	1.7924
H9	2.5262	2.0772	3.8045	1.0979	4.4272	4.0071	4.3907	1.7924		1.7947
H10	2.5262	2.0772	3.8045	1.0979	4.4272	4.3907	4.0071	1.7924	1.7947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.591	O1	C3	H5	104.647
O1	C3	H6	111.522	O1	C3	H7	111.522
O2	O1	C3	104.591	O2	C4	H8	104.647
O2	C4	H9	111.522	O2	C4	H10	111.522
H5	C3	H6	109.701	H5	C3	H7	109.701
H6	C3	H7	109.632	H8	C4	H9	109.701
H8	C4	H10	109.701	H9	C4	H10	109.632

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3PW91/6-31G*

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	-0.281
2	O	-0.281
3	C	-0.240
4	C	-0.240
5	H	0.183
6	H	0.169
7	H	0.169
8	H	0.183
9	H	0.169
10	H	0.169

	x	y	z
x	4.155	0.189	0.000
y	0.189	6.418	0.000
z	0.000	0.000	3.903

<r²>	91.419
(<r²>)^1/2	9.561

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)