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	hartrees
Energy at 0K	-228.785570
Energy at 298.15K	-228.792659
Nuclear repulsion energy	133.092576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3349	3016	0.00
2	A_g	3236	2914	0.00
3	A_g	1661	1496	0.00
4	A_g	1597	1438	0.00
5	A_g	1363	1227	0.00
6	A_g	1220	1099	0.00
7	A_g	925	833	0.00
8	A_g	505	455	0.00
9	A_u	3334	3002	120.16
10	A_u	1626	1464	17.70
11	A_u	1266	1140	2.24
12	A_u	196	177	4.10
13	A_u	59	53	24.25
14	B_g	3332	3000	0.00
15	B_g	1626	1464	0.00
16	B_g	1268	1141	0.00
17	B_g	244	219	0.00
18	B_u	3349	3015	63.21
19	B_u	3232	2910	121.63
20	B_u	1656	1491	25.53
21	B_u	1585	1427	9.68
22	B_u	1274	1147	2.76
23	B_u	1110	1000	187.02
24	B_u	304	274	15.93

Atom	x (Å)	y (Å)	z (Å)
O1	-0.431	0.579	0.000
O2	0.431	-0.579	0.000
C3	0.431	1.728	0.000
C4	-0.431	-1.728	0.000
H5	-0.232	2.581	0.000
H6	1.049	1.729	0.886
H7	1.049	1.729	-0.886
H8	0.232	-2.581	0.000
H9	-1.049	-1.729	0.886
H10	-1.049	-1.729	-0.886

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4434	1.4365	2.3073	2.0119	2.0735	2.0735	3.2287	2.5488	2.5488
O2	1.4434		2.3073	1.4365	3.2287	2.5488	2.5488	2.0119	2.0735	2.0735
C3	1.4365	2.3073		3.5624	1.0798	1.0807	1.0807	4.3139	3.8641	3.8641
C4	2.3073	1.4365	3.5624		4.3139	3.8641	3.8641	1.0798	1.0807	1.0807
H5	2.0119	3.2287	1.0798	4.3139		1.7752	1.7752	5.1827	4.4758	4.4758
H6	2.0735	2.5488	1.0807	3.8641	1.7752		1.7727	4.4758	4.0455	4.4168
H7	2.0735	2.5488	1.0807	3.8641	1.7752	1.7727		4.4758	4.4168	4.0455
H8	3.2287	2.0119	4.3139	1.0798	5.1827	4.4758	4.4758		1.7752	1.7752
H9	2.5488	2.0735	3.8641	1.0807	4.4758	4.0455	4.4168	1.7752		1.7727
H10	2.5488	2.0735	3.8641	1.0807	4.4758	4.4168	4.0455	1.7752	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	106.485	O1	C3	H5	105.294
O1	C3	H6	110.120	O1	C3	H7	110.120
O2	O1	C3	106.485	O2	C4	H8	105.294
O2	C4	H9	110.120	O2	C4	H10	110.120
H5	C3	H6	110.503	H5	C3	H7	110.503
H6	C3	H7	110.200	H8	C4	H9	110.503
H8	C4	H10	110.503	H9	C4	H10	110.200

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: HF/SDD

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	-0.305
2	O	-0.305
3	C	-0.287
4	C	-0.287
5	H	0.192
6	H	0.200
7	H	0.200
8	H	0.192
9	H	0.200
10	H	0.200

	x	y	z
x	3.723	-0.237	0.000
y	-0.237	6.083	0.000
z	0.000	0.000	3.307

<r²>	93.560
(<r²>)^1/2	9.673

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)