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	hartrees
Energy at 0K	-230.151973
Energy at 298.15K	-230.158989
Nuclear repulsion energy	134.757944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3159	3015	0.00
2	A_g	3040	2901	0.00
3	A_g	1544	1473	0.00
4	A_g	1474	1407	0.00
5	A_g	1294	1235	0.00
6	A_g	1114	1063	0.00
7	A_g	876	836	0.00
8	A_g	497	474	0.00
9	A_u	3107	2965	112.49
10	A_u	1482	1414	15.40
11	A_u	1194	1140	1.49
12	A_u	213	204	3.79
13	A_u	20	19	11.34
14	B_g	3106	2965	0.00
15	B_g	1480	1413	0.00
16	B_g	1199	1145	0.00
17	B_g	272	260	0.00
18	B_u	3159	3014	38.14
19	B_u	3036	2898	107.60
20	B_u	1537	1466	26.90
21	B_u	1464	1398	3.07
22	B_u	1195	1141	12.96
23	B_u	1096	1046	117.94
24	B_u	307	293	11.29

Atom	x (Å)	y (Å)	z (Å)
O1	-0.432	0.577	0.000
O2	0.432	-0.577	0.000
C3	0.432	1.679	0.000
C4	-0.432	-1.679	0.000
H5	-0.224	2.549	0.000
H6	1.061	1.689	0.895
H7	1.061	1.689	-0.895
H8	0.224	-2.549	0.000
H9	-1.061	-1.689	0.895
H10	-1.061	-1.689	-0.895

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4418	1.4010	2.2559	1.9836	2.0663	2.0663	3.1944	2.5162	2.5162
O2	1.4418		2.2559	1.4010	3.1944	2.5162	2.5162	1.9836	2.0663	2.0663
C3	1.4010	2.2559		3.4677	1.0902	1.0939	1.0939	4.2336	3.7917	3.7917
C4	2.2559	1.4010	3.4677		4.2336	3.7917	3.7917	1.0902	1.0939	1.0939
H5	1.9836	3.1944	1.0902	4.2336		1.7871	1.7871	5.1185	4.4122	4.4122
H6	2.0663	2.5162	1.0939	3.7917	1.7871		1.7901	4.4122	3.9897	4.3729
H7	2.0663	2.5162	1.0939	3.7917	1.7871	1.7901		4.4122	4.3729	3.9897
H8	3.1944	1.9836	4.2336	1.0902	5.1185	4.4122	4.4122		1.7871	1.7871
H9	2.5162	2.0663	3.7917	1.0939	4.4122	3.9897	4.3729	1.7871		1.7901
H10	2.5162	2.0663	3.7917	1.0939	4.4122	4.3729	3.9897	1.7871	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	105.029	O1	C3	H5	104.854
O1	C3	H6	111.229	O1	C3	H7	111.229
O2	O1	C3	105.029	O2	C4	H8	104.854
O2	C4	H9	111.229	O2	C4	H10	111.229
H5	C3	H6	109.808	H5	C3	H7	109.808
H6	C3	H7	109.805	H8	C4	H9	109.808
H8	C4	H10	109.808	H9	C4	H10	109.805

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: mPW1PW91/6-311G*

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	-0.231
2	O	-0.231
3	C	-0.415
4	C	-0.415
5	H	0.223
6	H	0.211
7	H	0.211
8	H	0.223
9	H	0.211
10	H	0.211

<r²>	91.051
(<r²>)^1/2	9.542

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)