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	hartrees
Energy at 0K	-230.048589
Energy at 298.15K
HF Energy	-230.048589
Nuclear repulsion energy	134.827905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3186	3017	0.00
2	A_g	3079	2916	0.00
3	A_g	1556	1473	0.00
4	A_g	1489	1410	0.00
5	A_g	1303	1234	0.00
6	A_g	1162	1101	0.00
7	A_g	917	868	0.00
8	A_g	512	485	0.00
9	A_u	3150	2983	82.38
10	A_u	1504	1425	9.40
11	A_u	1200	1136	2.51
12	A_u	225	213	2.50
13	A_u	18i	17i	12.25
14	B_g	3150	2983	0.00
15	B_g	1504	1424	0.00
16	B_g	1206	1142	0.00
17	B_g	275	260	0.00
18	B_u	3186	3017	29.65
19	B_u	3076	2913	79.38
20	B_u	1549	1467	21.46
21	B_u	1479	1401	9.22
22	B_u	1200	1137	16.30
23	B_u	1125	1065	115.48
24	B_u	319	302	11.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.571	0.000
O2	0.435	-0.571	0.000
C3	0.435	1.676	0.000
C4	-0.435	-1.676	0.000
H5	-0.217	2.552	0.000
H6	1.065	1.678	0.896
H7	1.065	1.678	-0.896
H8	0.217	-2.552	0.000
H9	-1.065	-1.678	0.896
H10	-1.065	-1.678	-0.896

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4350	1.4066	2.2462	1.9933	2.0687	2.0687	3.1897	2.5008	2.5008
O2	1.4350		2.2462	1.4066	3.1897	2.5008	2.5008	1.9933	2.0687	2.0687
C3	1.4066	2.2462		3.4625	1.0921	1.0954	1.0954	4.2332	3.7813	3.7813
C4	2.2462	1.4066	3.4625		4.2332	3.7813	3.7813	1.0921	1.0954	1.0954
H5	1.9933	3.1897	1.0921	4.2332		1.7920	1.7920	5.1221	4.4057	4.4057
H6	2.0687	2.5008	1.0954	3.7813	1.7920		1.7918	4.4057	3.9745	4.3597
H7	2.0687	2.5008	1.0954	3.7813	1.7920	1.7918		4.4057	4.3597	3.9745
H8	3.1897	1.9933	4.2332	1.0921	5.1221	4.4057	4.4057		1.7920	1.7920
H9	2.5008	2.0687	3.7813	1.0954	4.4057	3.9745	4.3597	1.7920		1.7918
H10	2.5008	2.0687	3.7813	1.0954	4.4057	4.3597	3.9745	1.7920	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.459	O1	C3	H5	105.136
O1	C3	H6	110.933	O1	C3	H7	110.933
O2	O1	C3	104.459	O2	C4	H8	105.136
O2	C4	H9	110.933	O2	C4	H10	110.933
H5	C3	H6	110.006	H5	C3	H7	110.006
H6	C3	H7	109.743	H8	C4	H9	110.006
H8	C4	H10	110.006	H9	C4	H10	109.743

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: M06-2X/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	-0.300
2	O	-0.300
3	C	-0.203
4	C	-0.203
5	H	0.176
6	H	0.163
7	H	0.163
8	H	0.176
9	H	0.163
10	H	0.163

	x	y	z
x	4.090	0.088	0.000
y	0.088	6.199	0.000
z	0.000	0.000	3.896

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)