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	hartrees
Energy at 0K	-229.890614
Energy at 298.15K	-229.897460
Nuclear repulsion energy	132.721237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3068	3024	0.00
2	A_g	2948	2906	0.00
3	A_g	1505	1483	0.00
4	A_g	1421	1401	0.00
5	A_g	1239	1221	0.00
6	A_g	1029	1014	0.00
7	A_g	802	790	0.00
8	A_g	468	461	0.00
9	A_u	3006	2963	110.92
10	A_u	1431	1411	9.97
11	A_u	1149	1132	0.40
12	A_u	208	205	4.16
13	A_u	8	8	9.38
14	B_g	3006	2963	0.00
15	B_g	1430	1410	0.00
16	B_g	1155	1138	0.00
17	B_g	266	263	0.00
18	B_u	3068	3024	29.53
19	B_u	2944	2902	109.56
20	B_u	1497	1475	30.96
21	B_u	1411	1391	4.66
22	B_u	1141	1124	17.22
23	B_u	1047	1032	78.64
24	B_u	293	288	11.09

Atom	x (Å)	y (Å)	z (Å)
O1	-0.446	0.596	0.000
O2	0.446	-0.596	0.000
C3	0.446	1.693	0.000
C4	-0.446	-1.693	0.000
H5	-0.212	2.578	0.000
H6	1.085	1.706	0.905
H7	1.085	1.706	-0.905
H8	0.212	-2.578	0.000
H9	-1.085	-1.706	0.905
H10	-1.085	-1.706	-0.905

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4893	1.4140	2.2890	1.9954	2.0961	2.0961	3.2416	2.5544	2.5544
O2	1.4893		2.2890	1.4140	3.2416	2.5544	2.5544	1.9954	2.0961	2.0961
C3	1.4140	2.2890		3.5014	1.1031	1.1074	1.1074	4.2771	3.8358	3.8358
C4	2.2890	1.4140	3.5014		4.2771	3.8358	3.8358	1.1031	1.1074	1.1074
H5	1.9954	3.2416	1.1031	4.2771		1.8060	1.8060	5.1731	4.4641	4.4641
H6	2.0961	2.5544	1.1074	3.8358	1.8060		1.8093	4.4641	4.0430	4.4294
H7	2.0961	2.5544	1.1074	3.8358	1.8060	1.8093		4.4641	4.4294	4.0430
H8	3.2416	1.9954	4.2771	1.1031	5.1731	4.4641	4.4641		1.8060	1.8060
H9	2.5544	2.0961	3.8358	1.1074	4.4641	4.0430	4.4294	1.8060		1.8093
H10	2.5544	2.0961	3.8358	1.1074	4.4641	4.4294	4.0430	1.8060	1.8093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.053	O1	C3	H5	104.204
O1	C3	H6	111.899	O1	C3	H7	111.899
O2	O1	C3	104.053	O2	C4	H8	104.204
O2	C4	H9	111.899	O2	C4	H10	111.899
H5	C3	H6	109.572	H5	C3	H7	109.572
H6	C3	H7	109.553	H8	C4	H9	109.572
H8	C4	H10	109.572	H9	C4	H10	109.553

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: PBEPBE/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	-0.256
2	O	-0.256
3	C	-0.235
4	C	-0.235
5	H	0.174
6	H	0.159
7	H	0.159
8	H	0.174
9	H	0.159
10	H	0.159

	x	y	z
x	4.332	0.329	0.000
y	0.329	6.895	0.000
z	0.000	0.000	4.022

<r²>	93.037
(<r²>)^1/2	9.646

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)