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	hartrees
Energy at 0K	-228.996556
Energy at 298.15K	-229.003436
Nuclear repulsion energy	134.824278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3073	3039	0.00
2	A_g	2919	2886	0.00
3	A_g	1430	1415	0.00
4	A_g	1350	1335	0.00
5	A_g	1238	1224	0.00
6	A_g	1067	1055	0.00
7	A_g	845	835	0.00
8	A_g	482	477	0.00
9	A_u	2983	2950	90.04
10	A_u	1342	1327	20.23
11	A_u	1114	1102	0.25
12	A_u	208	205	3.86
13	A_u	3	3	7.85
14	B_g	2982	2950	0.00
15	B_g	1339	1325	0.00
16	B_g	1125	1113	0.00
17	B_g	269	266	0.00
18	B_u	3072	3039	10.78
19	B_u	2913	2881	109.77
20	B_u	1421	1405	36.07
21	B_u	1341	1326	1.02
22	B_u	1131	1119	84.22
23	B_u	1084	1072	26.43
24	B_u	297	294	11.55

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.578	0.000
O2	0.435	-0.578	0.000
C3	0.435	1.660	0.000
C4	-0.435	-1.660	0.000
H5	-0.223	2.554	0.000
H6	1.082	1.676	0.909
H7	1.082	1.676	-0.909
H8	0.223	-2.554	0.000
H9	-1.082	-1.676	0.909
H10	-1.082	-1.676	-0.909

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4470	1.3885	2.2387	1.9867	2.0817	2.0817	3.1999	2.5155	2.5155
O2	1.4470		2.2387	1.3885	3.1999	2.5155	2.5155	1.9867	2.0817	2.0817
C3	1.3885	2.2387		3.4330	1.1089	1.1158	1.1158	4.2193	3.7765	3.7765
C4	2.2387	1.3885	3.4330		4.2193	3.7765	3.7765	1.1089	1.1158	1.1158
H5	1.9867	3.1999	1.1089	4.2193		1.8159	1.8159	5.1264	4.4109	4.4109
H6	2.0817	2.5155	1.1158	3.7765	1.8159		1.8171	4.4109	3.9908	4.3850
H7	2.0817	2.5155	1.1158	3.7765	1.8159	1.8171		4.4109	4.3850	3.9908
H8	3.1999	1.9867	4.2193	1.1089	5.1264	4.4109	4.4109		1.8159	1.8159
H9	2.5155	2.0817	3.7765	1.1158	4.4109	3.9908	4.3850	1.8159		1.8171
H10	2.5155	2.0817	3.7765	1.1158	4.4109	4.3850	3.9908	1.8159	1.8171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.265	O1	C3	H5	104.856
O1	C3	H6	111.999	O1	C3	H7	111.999
O2	O1	C3	104.265	O2	C4	H8	104.856
O2	C4	H9	111.999	O2	C4	H10	111.999
H5	C3	H6	109.424	H5	C3	H7	109.424
H6	C3	H7	109.034	H8	C4	H9	109.424
H8	C4	H10	109.424	H9	C4	H10	109.034

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: LSDA/cc-pVDZ

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	-0.173
2	O	-0.173
3	C	-0.031
4	C	-0.031
5	H	0.083
6	H	0.060
7	H	0.060
8	H	0.083
9	H	0.060
10	H	0.060

	x	y	z
x	4.565	0.480	0.000
y	0.480	7.048	0.000
z	0.000	0.000	4.295

<r²>	90.696
(<r²>)^1/2	9.523

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)