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	hartrees
Energy at 0K	-230.116458
Energy at 298.15K
Nuclear repulsion energy	134.938591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3013	0.00
2	A_g	3033	2896	0.00
3	A_g	1526	1457	0.00
4	A_g	1458	1392	0.00
5	A_g	1287	1229	0.00
6	A_g	1121	1070	0.00
7	A_g	890	850	0.00
8	A_g	497	475	0.00
9	A_u	3103	2962	84.94
10	A_u	1463	1397	11.01
11	A_u	1183	1130	1.58
12	A_u	208	199	2.92
13	A_u	6i	5i	9.28
14	B_g	3102	2962	0.00
15	B_g	1462	1396	0.00
16	B_g	1189	1135	0.00
17	B_g	266	254	0.00
18	B_u	3156	3013	27.01
19	B_u	3030	2892	93.50
20	B_u	1518	1449	24.78
21	B_u	1447	1382	5.64
22	B_u	1184	1130	16.93
23	B_u	1101	1051	100.99
24	B_u	308	294	10.37

Atom	x (Å)	y (Å)	z (Å)
O1	-0.432	0.574	0.000
O2	0.432	-0.574	0.000
C3	0.432	1.674	0.000
C4	-0.432	-1.674	0.000
H5	-0.221	2.549	0.000
H6	1.065	1.688	0.895
H7	1.065	1.688	-0.895
H8	0.221	-2.549	0.000
H9	-1.065	-1.688	0.895
H10	-1.065	-1.688	-0.895

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4367	1.3995	2.2479	1.9865	2.0698	2.0698	3.1905	2.5132	2.5132
O2	1.4367		2.2479	1.3995	3.1905	2.5132	2.5132	1.9865	2.0698	2.0698
C3	1.3995	2.2479		3.4582	1.0921	1.0960	1.0960	4.2285	3.7877	3.7877
C4	2.2479	1.3995	3.4582		4.2285	3.7877	3.7877	1.0921	1.0960	1.0960
H5	1.9865	3.1905	1.0921	4.2285		1.7880	1.7880	5.1173	4.4119	4.4119
H6	2.0698	2.5132	1.0960	3.7877	1.7880		1.7895	4.4119	3.9918	4.3746
H7	2.0698	2.5132	1.0960	3.7877	1.7880	1.7895		4.4119	4.3746	3.9918
H8	3.1905	1.9865	4.2285	1.0921	5.1173	4.4119	4.4119		1.7880	1.7880
H9	2.5132	2.0698	3.7877	1.0960	4.4119	3.9918	4.3746	1.7880		1.7895
H10	2.5132	2.0698	3.7877	1.0960	4.4119	4.3746	3.9918	1.7880	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.850	O1	C3	H5	105.079
O1	C3	H6	111.504	O1	C3	H7	111.504
O2	O1	C3	104.850	O2	C4	H8	105.079
O2	C4	H9	111.504	O2	C4	H10	111.504
H5	C3	H6	109.605	H5	C3	H7	109.605
H6	C3	H7	109.449	H8	C4	H9	109.605
H8	C4	H10	109.605	H9	C4	H10	109.449

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.191
2	O	-0.191
3	C	-0.249
4	C	-0.249
5	H	0.157
6	H	0.141
7	H	0.141
8	H	0.157
9	H	0.141
10	H	0.141

	x	y	z
x	4.359	0.240	0.000
y	0.240	6.653	0.000
z	0.000	0.000	4.154

<r²>	90.636
(<r²>)^1/2	9.520

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)