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	hartrees
Energy at 0K	-230.103908
Energy at 298.15K	-230.110893
Nuclear repulsion energy	134.558605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3169	3015	0.00
2	A_g	3047	2899	0.00
3	A_g	1539	1465	0.00
4	A_g	1469	1397	0.00
5	A_g	1289	1226	0.00
6	A_g	1120	1066	0.00
7	A_g	882	840	0.00
8	A_g	497	473	0.00
9	A_u	3119	2968	92.97
10	A_u	1477	1405	10.92
11	A_u	1186	1129	1.04
12	A_u	210	199	3.65
13	A_u	13	13	11.16
14	B_g	3119	2968	0.00
15	B_g	1476	1404	0.00
16	B_g	1192	1135	0.00
17	B_g	267	254	0.00
18	B_u	3169	3015	30.80
19	B_u	3043	2896	96.32
20	B_u	1532	1458	25.85
21	B_u	1458	1388	6.49
22	B_u	1186	1129	16.98
23	B_u	1104	1050	103.15
24	B_u	308	293	11.49

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.577	0.000
O2	0.435	-0.577	0.000
C3	0.435	1.678	0.000
C4	-0.435	-1.678	0.000
H5	-0.218	2.553	0.000
H6	1.067	1.691	0.895
H7	1.067	1.691	-0.895
H8	0.218	-2.553	0.000
H9	-1.067	-1.691	0.895
H10	-1.067	-1.691	-0.895

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4457	1.4035	2.2554	1.9876	2.0730	2.0730	3.1976	2.5186	2.5186
O2	1.4457		2.2554	1.4035	3.1976	2.5186	2.5186	1.9876	2.0730	2.0730
C3	1.4035	2.2554		3.4674	1.0918	1.0955	1.0955	4.2367	3.7956	3.7956
C4	2.2554	1.4035	3.4674		4.2367	3.7956	3.7956	1.0918	1.0955	1.0955
H5	1.9876	3.1976	1.0918	4.2367		1.7878	1.7878	5.1245	4.4192	4.4192
H6	2.0730	2.5186	1.0955	3.7956	1.7878		1.7897	4.4192	3.9985	4.3807
H7	2.0730	2.5186	1.0955	3.7956	1.7878	1.7897		4.4192	4.3807	3.9985
H8	3.1976	1.9876	4.2367	1.0918	5.1245	4.4192	4.4192		1.7878	1.7878
H9	2.5186	2.0730	3.7956	1.0955	4.4192	3.9985	4.3807	1.7878		1.7897
H10	2.5186	2.0730	3.7956	1.0955	4.4192	4.3807	3.9985	1.7878	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.659	O1	C3	H5	104.915
O1	C3	H6	111.506	O1	C3	H7	111.506
O2	O1	C3	104.659	O2	C4	H8	104.915
O2	C4	H9	111.506	O2	C4	H10	111.506
H5	C3	H6	109.636	H5	C3	H7	109.636
H6	C3	H7	109.539	H8	C4	H9	109.636
H8	C4	H10	109.636	H9	C4	H10	109.539

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: mPW1PW91/6-31G**

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	-0.296
2	O	-0.296
3	C	-0.115
4	C	-0.115
5	H	0.145
6	H	0.133
7	H	0.133
8	H	0.145
9	H	0.133
10	H	0.133

	x	y	z
x	4.180	0.188	0.000
y	0.188	6.424	0.000
z	0.000	0.000	3.935

<r²>	91.000
(<r²>)^1/2	9.539

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)