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	hartrees
Energy at 0K	-230.229227
Energy at 298.15K	-230.236188
Nuclear repulsion energy	133.549696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3113	3010	0.00
2	A_g	3005	2905	0.00
3	A_g	1520	1470	0.00
4	A_g	1454	1405	0.00
5	A_g	1266	1224	0.00
6	A_g	1063	1027	0.00
7	A_g	836	808	0.00
8	A_g	484	468	0.00
9	A_u	3064	2962	105.11
10	A_u	1455	1407	13.93
11	A_u	1172	1133	1.80
12	A_u	206	199	3.27
13	A_u	26	25	11.13
14	B_g	3063	2962	0.00
15	B_g	1454	1406	0.00
16	B_g	1177	1138	0.00
17	B_g	261	252	0.00
18	B_u	3113	3009	34.34
19	B_u	3001	2902	103.19
20	B_u	1513	1463	26.60
21	B_u	1445	1397	4.33
22	B_u	1172	1133	11.18
23	B_u	1052	1017	110.72
24	B_u	302	292	11.43

Atom	x (Å)	y (Å)	z (Å)
O1	-0.438	0.587	0.000
O2	0.438	-0.587	0.000
C3	0.438	1.695	0.000
C4	-0.438	-1.695	0.000
H5	-0.218	2.567	0.000
H6	1.068	1.704	0.896
H7	1.068	1.704	-0.896
H8	0.218	-2.567	0.000
H9	-1.068	-1.704	0.896
H10	-1.068	-1.704	-0.896

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4654	1.4124	2.2820	1.9924	2.0779	2.0779	3.2222	2.5393	2.5393
O2	1.4654		2.2820	1.4124	3.2222	2.5393	2.5393	1.9924	2.0779	2.0779
C3	1.4124	2.2820		3.5011	1.0920	1.0953	1.0953	4.2679	3.8238	3.8238
C4	2.2820	1.4124	3.5011		4.2679	3.8238	3.8238	1.0920	1.0953	1.0953
H5	1.9924	3.2222	1.0920	4.2679		1.7898	1.7898	5.1534	4.4461	4.4461
H6	2.0779	2.5393	1.0953	3.8238	1.7898		1.7927	4.4461	4.0212	4.4028
H7	2.0779	2.5393	1.0953	3.8238	1.7898	1.7927		4.4461	4.4028	4.0212
H8	3.2222	1.9924	4.2679	1.0920	5.1534	4.4461	4.4461		1.7898	1.7898
H9	2.5393	2.0779	3.8238	1.0953	4.4461	4.0212	4.4028	1.7898		1.7927
H10	2.5393	2.0779	3.8238	1.0953	4.4461	4.4028	4.0212	1.7898	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.912	O1	C3	H5	104.690
O1	C3	H6	111.282	O1	C3	H7	111.282
O2	O1	C3	104.912	O2	C4	H8	104.690
O2	C4	H9	111.282	O2	C4	H10	111.282
H5	C3	H6	109.818	H5	C3	H7	109.818
H6	C3	H7	109.835	H8	C4	H9	109.818
H8	C4	H10	109.818	H9	C4	H10	109.835

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/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	-0.247
2	O	-0.247
3	C	-0.071
4	C	-0.071
5	H	0.114
6	H	0.102
7	H	0.102
8	H	0.114
9	H	0.102
10	H	0.102

	x	y	z
x	4.490	0.280	0.000
y	0.280	6.899	0.000
z	0.000	0.000	4.186

<r²>	92.579
(<r²>)^1/2	9.622

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)