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	hartrees
Energy at 0K	-230.089491
Energy at 298.15K	-230.096325
HF Energy	-230.089491
Nuclear repulsion energy	131.543344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3043	3018	0.00
2	A_g	2938	2914	0.00
3	A_g	1512	1500	0.00
4	A_g	1430	1419	0.00
5	A_g	1230	1220	0.00
6	A_g	995	986	0.00
7	A_g	772	766	0.00
8	A_g	456	452	0.00
9	A_u	2989	2965	122.02
10	A_u	1441	1429	7.14
11	A_u	1150	1140	0.78
12	A_u	207	205	3.75
13	A_u	24	24	9.51
14	B_g	2989	2965	0.00
15	B_g	1440	1429	0.00
16	B_g	1155	1146	0.00
17	B_g	262	260	0.00
18	B_u	3042	3018	37.68
19	B_u	2934	2910	111.31
20	B_u	1505	1492	30.72
21	B_u	1420	1408	10.17
22	B_u	1139	1130	12.14
23	B_u	1008	1000	83.78
24	B_u	288	286	10.94

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.589	0.000
O2	0.435	-0.589	0.000
C3	0.435	1.715	0.000
C4	-0.435	-1.715	0.000
H5	-0.237	2.586	0.000
H6	1.076	1.741	0.901
H7	1.076	1.741	-0.901
H8	0.237	-2.586	0.000
H9	-1.076	-1.741	0.901
H10	-1.076	-1.741	-0.901

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4649	1.4221	2.3044	2.0065	2.1026	2.1026	3.2460	2.5799	2.5799
O2	1.4649		2.3044	1.4221	3.2460	2.5799	2.5799	2.0065	2.1026	2.1026
C3	1.4221	2.3044		3.5382	1.1002	1.1065	1.1065	4.3056	3.8780	3.8780
C4	2.3044	1.4221	3.5382		4.3056	3.8780	3.8780	1.1002	1.1065	1.1065
H5	2.0065	3.2460	1.1002	4.3056		1.8028	1.8028	5.1941	4.4993	4.4993
H6	2.1026	2.5799	1.1065	3.8780	1.8028		1.8028	4.4993	4.0937	4.4731
H7	2.1026	2.5799	1.1065	3.8780	1.8028	1.8028		4.4993	4.4731	4.0937
H8	3.2460	2.0065	4.3056	1.1002	5.1941	4.4993	4.4993		1.8028	1.8028
H9	2.5799	2.1026	3.8780	1.1065	4.4993	4.0937	4.4731	1.8028		1.8028
H10	2.5799	2.1026	3.8780	1.1065	4.4993	4.4731	4.0937	1.8028	1.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	105.907	O1	C3	H5	104.689
O1	C3	H6	111.910	O1	C3	H7	111.910
O2	O1	C3	105.907	O2	C4	H8	104.689
O2	C4	H9	111.910	O2	C4	H10	111.910
H5	C3	H6	109.566	H5	C3	H7	109.566
H6	C3	H7	109.100	H8	C4	H9	109.566
H8	C4	H10	109.566	H9	C4	H10	109.100

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: BLYP/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	-0.262
2	O	-0.262
3	C	-0.157
4	C	-0.157
5	H	0.148
6	H	0.136
7	H	0.136
8	H	0.148
9	H	0.136
10	H	0.136

	x	y	z
x	4.336	0.324	0.000
y	0.324	7.065	0.000
z	0.000	0.000	3.990

<r²>	94.575
(<r²>)^1/2	9.725

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)