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	hartrees
Energy at 0K	-45.743590
Energy at 298.15K	-45.750814
Nuclear repulsion energy	79.564040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3331	2992	0.00
2	A_g	3233	2903	0.00
3	A_g	1647	1479	0.00
4	A_g	1596	1433	0.00
5	A_g	1400	1257	0.00
6	A_g	1289	1157	0.00
7	A_g	994	892	0.00
8	A_g	535	481	0.00
9	A_u	3308	2970	169.07
10	A_u	1603	1440	6.07
11	A_u	1276	1146	6.74
12	A_u	227	204	3.36
13	A_u	37	33	15.52
14	B_g	3307	2969	0.00
15	B_g	1604	1440	0.00
16	B_g	1281	1150	0.00
17	B_g	285	256	0.00
18	B_u	3332	2992	108.85
19	B_u	3228	2899	151.90
20	B_u	1641	1474	19.99
21	B_u	1583	1422	33.45
22	B_u	1288	1157	12.20
23	B_u	1174	1055	206.24
24	B_u	333	299	11.68

Atom	x (Å)	y (Å)	z (Å)
O1	-0.424	0.560	0.000
O2	0.424	-0.560	0.000
C3	0.424	1.683	0.000
C4	-0.424	-1.683	0.000
H5	-0.239	2.546	0.000
H6	1.050	1.692	0.893
H7	1.050	1.692	-0.893
H8	0.239	-2.546	0.000
H9	-1.050	-1.692	0.893
H10	-1.050	-1.692	-0.893

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4041	1.4069	2.2427	1.9951	2.0616	2.0616	3.1761	2.5020	2.5020
O2	1.4041		2.2427	1.4069	3.1761	2.5020	2.5020	1.9951	2.0616	2.0616
C3	1.4069	2.2427		3.4708	1.0884	1.0906	1.0906	4.2333	3.7891	3.7891
C4	2.2427	1.4069	3.4708		4.2333	3.7891	3.7891	1.0884	1.0906	1.0906
H5	1.9951	3.1761	1.0884	4.2333		1.7854	1.7854	5.1151	4.4066	4.4066
H6	2.0616	2.5020	1.0906	3.7891	1.7854		1.7861	4.4066	3.9822	4.3644
H7	2.0616	2.5020	1.0906	3.7891	1.7854	1.7861		4.4066	4.3644	3.9822
H8	3.1761	1.9951	4.2333	1.0884	5.1151	4.4066	4.4066		1.7854	1.7854
H9	2.5020	2.0616	3.7891	1.0906	4.4066	3.9822	4.3644	1.7854		1.7861
H10	2.5020	2.0616	3.7891	1.0906	4.4066	4.3644	3.9822	1.7854	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	105.847	O1	C3	H5	105.470
O1	C3	H6	110.630	O1	C3	H7	110.630
O2	O1	C3	105.847	O2	C4	H8	105.470
O2	C4	H9	110.630	O2	C4	H10	110.630
H5	C3	H6	110.046	H5	C3	H7	110.046
H6	C3	H7	109.936	H8	C4	H9	110.046
H8	C4	H10	110.046	H9	C4	H10	109.936

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: HF/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	-0.211
2	O	-0.211
3	C	-0.240
4	C	-0.240
5	H	0.167
6	H	0.142
7	H	0.142
8	H	0.167
9	H	0.142
10	H	0.142

	x	y	z
x	3.667	-0.123	0.000
y	-0.123	5.661	0.000
z	0.000	0.000	3.457

<r²>	76.412
(<r²>)^1/2	8.741

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)