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	hartrees
Energy at 0K	-230.147641
Energy at 298.15K	-230.154473
Nuclear repulsion energy	130.254689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3037	0.00
2	A_g	3040	2922	0.00
3	A_g	1531	1472	0.00
4	A_g	1459	1402	0.00
5	A_g	1231	1184	0.00
6	A_g	1022	983	0.00
7	A_g	803	772	0.00
8	A_g	451	433	0.00
9	A_u	3137	3015	112.27
10	A_u	1476	1419	21.85
11	A_u	1150	1106	0.11
12	A_u	190	182	4.54
13	A_u	49	47	18.96
14	B_g	3135	3014	0.00
15	B_g	1476	1419	0.00
16	B_g	1151	1107	0.00
17	B_g	235	226	0.00
18	B_u	3159	3037	46.47
19	B_u	3037	2919	95.46
20	B_u	1525	1466	31.57
21	B_u	1450	1394	0.01
22	B_u	1151	1106	4.90
23	B_u	1000	961	75.05
24	B_u	278	267	16.69

Atom	x (Å)	y (Å)	z (Å)
O1	-0.456	0.609	0.000
O2	0.456	-0.609	0.000
C3	0.456	1.742	0.000
C4	-0.456	-1.742	0.000
H5	-0.200	2.620	0.000
H6	1.085	1.738	0.900
H7	1.085	1.738	-0.900
H8	0.200	-2.620	0.000
H9	-1.085	-1.738	0.900
H10	-1.085	-1.738	-0.900

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.5223	1.4551	2.3511	2.0273	2.1115	2.1115	3.2951	2.5907	2.5907
O2	1.5223		2.3511	1.4551	3.2951	2.5907	2.5907	2.0273	2.1115	2.1115
C3	1.4551	2.3511		3.6018	1.0963	1.0971	1.0971	4.3696	3.9108	3.9108
C4	2.3511	1.4551	3.6018		4.3696	3.9108	3.9108	1.0963	1.0971	1.0971
H5	2.0273	3.2951	1.0963	4.3696		1.7993	1.7993	5.2553	4.5369	4.5369
H6	2.1115	2.5907	1.0971	3.9108	1.7993		1.7991	4.5369	4.0971	4.4747
H7	2.1115	2.5907	1.0971	3.9108	1.7993	1.7991		4.5369	4.4747	4.0971
H8	3.2951	2.0273	4.3696	1.0963	5.2553	4.5369	4.5369		1.7993	1.7993
H9	2.5907	2.1115	3.9108	1.0971	4.5369	4.0971	4.4747	1.7993		1.7991
H10	2.5907	2.1115	3.9108	1.0971	4.5369	4.4747	4.0971	1.7993	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.286	O1	C3	H5	104.351
O1	C3	H6	110.869	O1	C3	H7	110.869
O2	O1	C3	104.286	O2	C4	H8	104.351
O2	C4	H9	110.869	O2	C4	H10	110.869
H5	C3	H6	110.236	H5	C3	H7	110.236
H6	C3	H7	110.152	H8	C4	H9	110.236
H8	C4	H10	110.236	H9	C4	H10	110.152

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/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	-0.216
2	O	-0.216
3	C	-0.419
4	C	-0.419
5	H	0.211
6	H	0.212
7	H	0.212
8	H	0.211
9	H	0.212
10	H	0.212

	x	y	z
x	3.999	0.013	0.000
y	0.013	6.598	0.000
z	0.000	0.000	3.489

<r²>	96.074
(<r²>)^1/2	9.802

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)