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	hartrees
Energy at 0K	-230.258996
Energy at 298.15K	-230.265936
HF Energy	-230.258996
Nuclear repulsion energy	133.510624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3110	3011	0.00
2	A_g	3004	2909	0.00
3	A_g	1528	1480	0.00
4	A_g	1453	1407	0.00
5	A_g	1264	1224	0.00
6	A_g	1049	1016	0.00
7	A_g	834	808	0.00
8	A_g	468	453	0.00
9	A_u	3064	2967	100.70
10	A_u	1468	1421	10.70
11	A_u	1171	1134	2.47
12	A_u	204	197	2.79
13	A_u	34	33	9.71
14	B_g	3064	2967	0.00
15	B_g	1467	1420	0.00
16	B_g	1176	1139	0.00
17	B_g	257	248	0.00
18	B_u	3110	3011	33.93
19	B_u	3001	2905	103.62
20	B_u	1521	1473	24.19
21	B_u	1444	1398	7.41
22	B_u	1168	1131	14.44
23	B_u	1044	1011	104.86
24	B_u	290	281	10.76

Atom	x (Å)	y (Å)	z (Å)
O1	-0.432	0.578	0.000
O2	0.432	-0.578	0.000
C3	0.432	1.693	0.000
C4	-0.432	-1.693	0.000
H5	-0.230	2.558	0.000
H6	1.064	1.707	0.895
H7	1.064	1.707	-0.895
H8	0.230	-2.558	0.000
H9	-1.064	-1.707	0.895
H10	-1.064	-1.707	-0.895

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4444	1.4105	2.2712	1.9903	2.0769	2.0769	3.2060	2.5347	2.5347
O2	1.4444		2.2712	1.4105	3.2060	2.5347	2.5347	1.9903	2.0769	2.0769
C3	1.4105	2.2712		3.4941	1.0899	1.0952	1.0952	4.2560	3.8210	3.8210
C4	2.2712	1.4105	3.4941		4.2560	3.8210	3.8210	1.0899	1.0952	1.0952
H5	1.9903	3.2060	1.0899	4.2560		1.7881	1.7881	5.1374	4.4378	4.4378
H6	2.0769	2.5347	1.0952	3.8210	1.7881		1.7899	4.4378	4.0232	4.4034
H7	2.0769	2.5347	1.0952	3.8210	1.7881	1.7899		4.4378	4.4034	4.0232
H8	3.2060	1.9903	4.2560	1.0899	5.1374	4.4378	4.4378		1.7881	1.7881
H9	2.5347	2.0769	3.8210	1.0952	4.4378	4.0232	4.4034	1.7881		1.7899
H10	2.5347	2.0769	3.8210	1.0952	4.4378	4.4034	4.0232	1.7881	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	105.405	O1	C3	H5	104.776
O1	C3	H6	111.345	O1	C3	H7	111.345
O2	O1	C3	105.405	O2	C4	H8	104.776
O2	C4	H9	111.345	O2	C4	H10	111.345
H5	C3	H6	109.837	H5	C3	H7	109.837
H6	C3	H7	109.601	H8	C4	H9	109.837
H8	C4	H10	109.837	H9	C4	H10	109.601

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: TPSSh/cc-pVTZ

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	-0.189
2	O	-0.189
3	C	-0.004
4	C	-0.004
5	H	0.081
6	H	0.056
7	H	0.056
8	H	0.081
9	H	0.056
10	H	0.056

	x	y	z
x	4.945	0.371	0.000
y	0.371	7.464	0.000
z	0.000	0.000	4.606

<r²>	92.395
(<r²>)^1/2	9.612

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)