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	hartrees
Energy at 0K	-46.762420
Energy at 298.15K	-46.769368
Nuclear repulsion energy	77.821742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3125	3018	0.00
2	A_g	3022	2919	0.00
3	A_g	1516	1464	0.00
4	A_g	1452	1402	0.00
5	A_g	1258	1215	0.00
6	A_g	1067	1031	0.00
7	A_g	846	817	0.00
8	A_g	473	457	0.00
9	A_u	3091	2985	136.50
10	A_u	1457	1407	9.61
11	A_u	1162	1123	0.24
12	A_u	209	201	4.09
13	A_u	41	40	13.55
14	B_g	3090	2984	0.00
15	B_g	1456	1406	0.00
16	B_g	1165	1125	0.00
17	B_g	262	253	0.00
18	B_u	3125	3018	66.86
19	B_u	3018	2914	127.03
20	B_u	1509	1458	26.33
21	B_u	1442	1393	6.14
22	B_u	1163	1123	10.97
23	B_u	1046	1010	110.14
24	B_u	298	288	13.52

Atom	x (Å)	y (Å)	z (Å)
O1	-0.445	0.590	0.000
O2	0.445	-0.590	0.000
C3	0.445	1.705	0.000
C4	-0.445	-1.705	0.000
H5	-0.216	2.588	0.000
H6	1.080	1.710	0.906
H7	1.080	1.710	-0.906
H8	0.216	-2.588	0.000
H9	-1.080	-1.710	0.906
H10	-1.080	-1.710	-0.906

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4778	1.4263	2.2944	2.0114	2.0978	2.0978	3.2461	2.5522	2.5522
O2	1.4778		2.2944	1.4263	3.2461	2.5522	2.5522	2.0114	2.0978	2.0978
C3	1.4263	2.2944		3.5233	1.1036	1.1062	1.1062	4.2989	3.8478	3.8478
C4	2.2944	1.4263	3.5233		4.2989	3.8478	3.8478	1.1036	1.1062	1.1062
H5	2.0114	3.2461	1.1036	4.2989		1.8086	1.8086	5.1945	4.4769	4.4769
H6	2.0978	2.5522	1.1062	3.8478	1.8086		1.8119	4.4769	4.0450	4.4322
H7	2.0978	2.5522	1.1062	3.8478	1.8086	1.8119		4.4769	4.4322	4.0450
H8	3.2461	2.0114	4.2989	1.1036	5.1945	4.4769	4.4769		1.8086	1.8086
H9	2.5522	2.0978	3.8478	1.1062	4.4769	4.0450	4.4322	1.8086		1.8119
H10	2.5522	2.0978	3.8478	1.1062	4.4769	4.4322	4.0450	1.8086	1.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.366	O1	C3	H5	104.601
O1	C3	H6	111.224	O1	C3	H7	111.224
O2	O1	C3	104.366	O2	C4	H8	104.601
O2	C4	H9	111.224	O2	C4	H10	111.224
H5	C3	H6	109.856	H5	C3	H7	109.856
H6	C3	H7	109.958	H8	C4	H9	109.856
H8	C4	H10	109.856	H9	C4	H10	109.958

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/CEP-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	-0.151
2	O	-0.151
3	C	-0.407
4	C	-0.407
5	H	0.206
6	H	0.176
7	H	0.176
8	H	0.206
9	H	0.176
10	H	0.176

	x	y	z
x	3.984	0.094	0.000
y	0.094	6.439	0.000
z	0.000	0.000	3.679

<r²>	78.644
(<r²>)^1/2	8.868

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)