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	hartrees
Energy at 0K	-230.168208
Energy at 298.15K	-230.175116
HF Energy	-230.168208
Nuclear repulsion energy	133.342860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3146	3018	0.00
2	A_g	3035	2912	0.00
3	A_g	1561	1498	0.00
4	A_g	1482	1421	0.00
5	A_g	1278	1226	0.00
6	A_g	1066	1023	0.00
7	A_g	837	803	0.00
8	A_g	473	453	0.00
9	A_u	3099	2973	116.34
10	A_u	1500	1440	6.66
11	A_u	1186	1137	1.57
12	A_u	208	200	3.54
13	A_u	13	13	11.02
14	B_g	3098	2973	0.00
15	B_g	1500	1439	0.00
16	B_g	1191	1143	0.00
17	B_g	265	254	0.00
18	B_u	3146	3018	42.21
19	B_u	3031	2908	103.13
20	B_u	1554	1491	25.00
21	B_u	1470	1411	12.68
22	B_u	1182	1134	11.60
23	B_u	1063	1019	103.42
24	B_u	293	281	11.24

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.578	0.000
O2	0.435	-0.578	0.000
C3	0.435	1.690	0.000
C4	-0.435	-1.690	0.000
H5	-0.230	2.557	0.000
H6	1.069	1.705	0.897
H7	1.069	1.705	-0.897
H8	0.230	-2.557	0.000
H9	-1.069	-1.705	0.897
H10	-1.069	-1.705	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4469	1.4123	2.2678	1.9896	2.0829	2.0829	3.2045	2.5336	2.5336
O2	1.4469		2.2678	1.4123	3.2045	2.5336	2.5336	1.9896	2.0829	2.0829
C3	1.4123	2.2678		3.4903	1.0926	1.0984	1.0984	4.2518	3.8204	3.8204
C4	2.2678	1.4123	3.4903		4.2518	3.8204	3.8204	1.0926	1.0984	1.0984
H5	1.9896	3.2045	1.0926	4.2518		1.7935	1.7935	5.1343	4.4357	4.4357
H6	2.0829	2.5336	1.0984	3.8204	1.7935		1.7941	4.4357	4.0253	4.4070
H7	2.0829	2.5336	1.0984	3.8204	1.7935	1.7941		4.4357	4.4070	4.0253
H8	3.2045	1.9896	4.2518	1.0926	5.1343	4.4357	4.4357		1.7935	1.7935
H9	2.5336	2.0829	3.8204	1.0984	4.4357	4.0253	4.4070	1.7935		1.7941
H10	2.5336	2.0829	3.8204	1.0984	4.4357	4.4070	4.0253	1.7935	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.958	O1	C3	H5	104.449
O1	C3	H6	111.507	O1	C3	H7	111.507
O2	O1	C3	104.958	O2	C4	H8	104.449
O2	C4	H9	111.507	O2	C4	H10	111.507
H5	C3	H6	109.882	H5	C3	H7	109.882
H6	C3	H7	109.510	H8	C4	H9	109.882
H8	C4	H10	109.882	H9	C4	H10	109.510

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: TPSSh/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	-0.286
2	O	-0.286
3	C	-0.211
4	C	-0.211
5	H	0.174
6	H	0.162
7	H	0.162
8	H	0.174
9	H	0.162
10	H	0.162

	x	y	z
x	4.207	0.200	0.000
y	0.200	6.597	0.000
z	0.000	0.000	3.917

<r²>	92.178
(<r²>)^1/2	9.601

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)