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	hartrees
Energy at 0K	-229.916675
Energy at 298.15K	-229.923668
Nuclear repulsion energy	134.585838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3170	3015	0.00
2	A_g	3051	2901	0.00
3	A_g	1551	1475	0.00
4	A_g	1478	1405	0.00
5	A_g	1293	1230	0.00
6	A_g	1122	1067	0.00
7	A_g	882	839	0.00
8	A_g	499	474	0.00
9	A_u	3120	2967	96.36
10	A_u	1489	1416	10.70
11	A_u	1192	1133	1.14
12	A_u	213	203	3.75
13	A_u	13	12	10.89
14	B_g	3119	2966	0.00
15	B_g	1488	1415	0.00
16	B_g	1198	1139	0.00
17	B_g	272	259	0.00
18	B_u	3170	3015	31.78
19	B_u	3047	2898	96.68
20	B_u	1543	1468	26.01
21	B_u	1467	1396	6.58
22	B_u	1191	1133	15.61
23	B_u	1107	1053	105.97
24	B_u	310	294	11.29

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.577	0.000
O2	0.435	-0.577	0.000
C3	0.435	1.677	0.000
C4	-0.435	-1.677	0.000
H5	-0.220	2.552	0.000
H6	1.068	1.688	0.897
H7	1.068	1.688	-0.897
H8	0.220	-2.552	0.000
H9	-1.068	-1.688	0.897
H10	-1.068	-1.688	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4453	1.4027	2.2537	1.9869	2.0730	2.0730	3.1970	2.5166	2.5166
O2	1.4453		2.2537	1.4027	3.1970	2.5166	2.5166	1.9869	2.0730	2.0730
C3	1.4027	2.2537		3.4647	1.0936	1.0974	1.0974	4.2344	3.7926	3.7926
C4	2.2537	1.4027	3.4647		4.2344	3.7926	3.7926	1.0936	1.0974	1.0974
H5	1.9869	3.1970	1.0936	4.2344		1.7918	1.7918	5.1233	4.4159	4.4159
H6	2.0730	2.5166	1.0974	3.7926	1.7918		1.7933	4.4159	3.9945	4.3786
H7	2.0730	2.5166	1.0974	3.7926	1.7918	1.7933		4.4159	4.3786	3.9945
H8	3.1970	1.9869	4.2344	1.0936	5.1233	4.4159	4.4159		1.7918	1.7918
H9	2.5166	2.0730	3.7926	1.0974	4.4159	3.9945	4.3786	1.7918		1.7933
H10	2.5166	2.0730	3.7926	1.0974	4.4159	4.3786	3.9945	1.7918	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.611	O1	C3	H5	104.813
O1	C3	H6	111.446	O1	C3	H7	111.446
O2	O1	C3	104.611	O2	C4	H8	104.813
O2	C4	H9	111.446	O2	C4	H10	111.446
H5	C3	H6	109.725	H5	C3	H7	109.725
H6	C3	H7	109.582	H8	C4	H9	109.725
H8	C4	H10	109.725	H9	C4	H10	109.582

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: HSEh1PBE/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	-0.281
2	O	-0.281
3	C	-0.244
4	C	-0.244
5	H	0.184
6	H	0.170
7	H	0.170
8	H	0.184
9	H	0.170
10	H	0.170

	x	y	z
x	4.129	0.174	0.000
y	0.174	6.338	0.000
z	0.000	0.000	3.890

<r²>	90.974
(<r²>)^1/2	9.538

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)