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	hartrees
Energy at 0K	-230.088475
Energy at 298.15K	-230.095482
Nuclear repulsion energy	133.931176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3149	3024	0.00
2	A_g	3030	2909	0.00
3	A_g	1519	1458	0.00
4	A_g	1452	1394	0.00
5	A_g	1270	1219	0.00
6	A_g	1086	1042	0.00
7	A_g	856	822	0.00
8	A_g	489	469	0.00
9	A_u	3104	2980	83.67
10	A_u	1460	1402	15.24
11	A_u	1173	1126	1.49
12	A_u	208	200	4.22
13	A_u	42	41	12.79
14	B_g	3104	2980	0.00
15	B_g	1459	1401	0.00
16	B_g	1177	1130	0.00
17	B_g	263	253	0.00
18	B_u	3149	3024	25.76
19	B_u	3027	2906	105.10
20	B_u	1512	1452	27.39
21	B_u	1443	1385	2.41
22	B_u	1171	1124	15.52
23	B_u	1077	1034	103.10
24	B_u	305	292	12.92

Atom	x (Å)	y (Å)	z (Å)
O1	-0.436	0.583	0.000
O2	0.436	-0.583	0.000
C3	0.436	1.689	0.000
C4	-0.436	-1.689	0.000
H5	-0.224	2.560	0.000
H6	1.066	1.700	0.898
H7	1.066	1.700	-0.898
H8	0.224	-2.560	0.000
H9	-1.066	-1.700	0.898
H10	-1.066	-1.700	-0.898

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4560	1.4092	2.2716	1.9891	2.0764	2.0764	3.2118	2.5323	2.5323
O2	1.4560		2.2716	1.4092	3.2118	2.5323	2.5323	1.9891	2.0764	2.0764
C3	1.4092	2.2716		3.4888	1.0936	1.0968	1.0968	4.2546	3.8140	3.8140
C4	2.2716	1.4092	3.4888		4.2546	3.8140	3.8140	1.0936	1.0968	1.0968
H5	1.9891	3.2118	1.0936	4.2546		1.7921	1.7921	5.1404	4.4344	4.4344
H6	2.0764	2.5323	1.0968	3.8140	1.7921		1.7969	4.4344	4.0123	4.3963
H7	2.0764	2.5323	1.0968	3.8140	1.7921	1.7969		4.4344	4.3963	4.0123
H8	3.2118	1.9891	4.2546	1.0936	5.1404	4.4344	4.4344		1.7921	1.7921
H9	2.5323	2.0764	3.8140	1.0968	4.4344	4.0123	4.3963	1.7921		1.7969
H10	2.5323	2.0764	3.8140	1.0968	4.4344	4.3963	4.0123	1.7921	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.884	O1	C3	H5	104.555
O1	C3	H6	111.287	O1	C3	H7	111.287
O2	O1	C3	104.884	O2	C4	H8	104.555
O2	C4	H9	111.287	O2	C4	H10	111.287
H5	C3	H6	109.793	H5	C3	H7	109.793
H6	C3	H7	109.995	H8	C4	H9	109.793
H8	C4	H10	109.793	H9	C4	H10	109.995

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3PW91/6-31+G**

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	-0.192
2	O	-0.192
3	C	-0.290
4	C	-0.290
5	H	0.165
6	H	0.159
7	H	0.159
8	H	0.165
9	H	0.159
10	H	0.159

	x	y	z
x	4.847	0.218	0.000
y	0.218	7.002	0.000
z	0.000	0.000	4.569

<r²>	92.101
(<r²>)^1/2	9.597

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)