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	hartrees
Energy at 0K	-230.118078
Energy at 298.15K	-230.125069
Nuclear repulsion energy	134.826009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3030	0.00
2	A_g	3036	2915	0.00
3	A_g	1524	1463	0.00
4	A_g	1455	1397	0.00
5	A_g	1281	1230	0.00
6	A_g	1107	1062	0.00
7	A_g	870	836	0.00
8	A_g	491	472	0.00
9	A_u	3103	2979	98.28
10	A_u	1458	1400	14.73
11	A_u	1178	1131	1.72
12	A_u	204	196	3.32
13	A_u	26	25	11.32
14	B_g	3103	2979	0.00
15	B_g	1457	1399	0.00
16	B_g	1184	1137	0.00
17	B_g	262	252	0.00
18	B_u	3155	3030	31.79
19	B_u	3032	2911	100.28
20	B_u	1516	1456	26.02
21	B_u	1446	1389	3.78
22	B_u	1180	1133	16.80
23	B_u	1092	1049	112.58
24	B_u	302	290	11.31

Atom	x (Å)	y (Å)	z (Å)
O1	-0.434	0.576	0.000
O2	0.434	-0.576	0.000
C3	0.434	1.677	0.000
C4	-0.434	-1.677	0.000
H5	-0.219	2.548	0.000
H6	1.062	1.685	0.894
H7	1.062	1.685	-0.894
H8	0.219	-2.548	0.000
H9	-1.062	-1.685	0.894
H10	-1.062	-1.685	-0.894

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4422	1.4013	2.2527	1.9839	2.0656	2.0656	3.1918	2.5112	2.5112
O2	1.4422		2.2527	1.4013	3.1918	2.5112	2.5112	1.9839	2.0656	2.0656
C3	1.4013	2.2527		3.4636	1.0891	1.0928	1.0928	4.2304	3.7864	3.7864
C4	2.2527	1.4013	3.4636		4.2304	3.7864	3.7864	1.0891	1.0928	1.0928
H5	1.9839	3.1918	1.0891	4.2304		1.7850	1.7850	5.1154	4.4080	4.4080
H6	2.0656	2.5112	1.0928	3.7864	1.7850		1.7879	4.4080	3.9837	4.3665
H7	2.0656	2.5112	1.0928	3.7864	1.7850	1.7879		4.4080	4.3665	3.9837
H8	3.1918	1.9839	4.2304	1.0891	5.1154	4.4080	4.4080		1.7850	1.7850
H9	2.5112	2.0656	3.7864	1.0928	4.4080	3.9837	4.3665	1.7850		1.7879
H10	2.5112	2.0656	3.7864	1.0928	4.4080	4.3665	3.9837	1.7850	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.776	O1	C3	H5	104.927
O1	C3	H6	111.226	O1	C3	H7	111.226
O2	O1	C3	104.776	O2	C4	H8	104.927
O2	C4	H9	111.226	O2	C4	H10	111.226
H5	C3	H6	109.794	H5	C3	H7	109.794
H6	C3	H7	109.770	H8	C4	H9	109.794
H8	C4	H10	109.794	H9	C4	H10	109.770

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B1B95/6-311G**

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	-0.244
2	O	-0.244
3	C	-0.114
4	C	-0.114
5	H	0.127
6	H	0.116
7	H	0.116
8	H	0.127
9	H	0.116
10	H	0.116

	x	y	z
x	4.414	0.245	0.000
y	0.245	6.646	0.000
z	0.000	0.000	4.140

<r²>	90.890
(<r²>)^1/2	9.534

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)