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	hartrees
Energy at 0K	-228.828757
Energy at 298.15K	-228.835982
Nuclear repulsion energy	136.244480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3317	2981	0.00
2	A_g	3222	2895	0.00
3	A_g	1668	1499	0.00
4	A_g	1618	1454	0.00
5	A_g	1410	1267	0.00
6	A_g	1289	1158	0.00
7	A_g	993	893	0.00
8	A_g	543	488	0.00
9	A_u	3292	2958	114.31
10	A_u	1625	1460	5.55
11	A_u	1293	1162	6.23
12	A_u	228	205	3.36
13	A_u	26	23	14.41
14	B_g	3291	2957	0.00
15	B_g	1625	1460	0.00
16	B_g	1298	1166	0.00
17	B_g	287	258	0.00
18	B_u	3317	2981	63.71
19	B_u	3218	2892	101.35
20	B_u	1662	1493	17.89
21	B_u	1605	1442	28.43
22	B_u	1305	1172	9.45
23	B_u	1187	1067	188.97
24	B_u	336	302	11.73

Atom	x (Å)	y (Å)	z (Å)
O1	-0.421	0.559	0.000
O2	0.421	-0.559	0.000
C3	0.421	1.673	0.000
C4	-0.421	-1.673	0.000
H5	-0.236	2.533	0.000
H6	1.044	1.685	0.886
H7	1.044	1.685	-0.886
H8	0.236	-2.533	0.000
H9	-1.044	-1.685	0.886
H10	-1.044	-1.685	-0.886

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.3985	1.3965	2.2319	1.9828	2.0491	2.0491	3.1604	2.4912	2.4912
O2	1.3985		2.2319	1.3965	3.1604	2.4912	2.4912	1.9828	2.0491	2.0491
C3	1.3965	2.2319		3.4507	1.0816	1.0836	1.0836	4.2101	3.7691	3.7691
C4	2.2319	1.3965	3.4507		4.2101	3.7691	3.7691	1.0816	1.0836	1.0836
H5	1.9828	3.1604	1.0816	4.2101		1.7729	1.7729	5.0875	4.3847	4.3847
H6	2.0491	2.4912	1.0836	3.7691	1.7729		1.7724	4.3847	3.9638	4.3420
H7	2.0491	2.4912	1.0836	3.7691	1.7729	1.7724		4.3847	4.3420	3.9638
H8	3.1604	1.9828	4.2101	1.0816	5.0875	4.3847	4.3847		1.7729	1.7729
H9	2.4912	2.0491	3.7691	1.0836	4.3847	3.9638	4.3420	1.7729		1.7724
H10	2.4912	2.0491	3.7691	1.0836	4.3847	4.3420	3.9638	1.7729	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	105.975	O1	C3	H5	105.583
O1	C3	H6	110.791	O1	C3	H7	110.791
O2	O1	C3	105.975	O2	C4	H8	105.583
O2	C4	H9	110.791	O2	C4	H10	110.791
H5	C3	H6	109.932	H5	C3	H7	109.932
H6	C3	H7	109.740	H8	C4	H9	109.932
H8	C4	H10	109.932	H9	C4	H10	109.740

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: HF/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	-0.355
2	O	-0.355
3	C	-0.148
4	C	-0.148
5	H	0.176
6	H	0.164
7	H	0.164
8	H	0.176
9	H	0.164
10	H	0.164

	x	y	z
x	3.841	-0.075	0.000
y	-0.075	5.798	0.000
z	0.000	0.000	3.692

<r²>	89.699
(<r²>)^1/2	9.471

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)