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	hartrees
Energy at 0K	-229.010730
Energy at 298.15K	-229.017695
Nuclear repulsion energy	134.540028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3076	3030	0.00
2	A_g	2939	2895	0.00
3	A_g	1456	1434	0.00
4	A_g	1378	1357	0.00
5	A_g	1237	1219	0.00
6	A_g	1064	1048	0.00
7	A_g	839	827	0.00
8	A_g	485	478	0.00
9	A_u	3007	2962	73.34
10	A_u	1381	1360	23.24
11	A_u	1131	1114	0.27
12	A_u	205	202	5.31
13	A_u	49	48	11.68
14	B_g	3007	2962	0.00
15	B_g	1379	1358	0.00
16	B_g	1136	1119	0.00
17	B_g	264	260	0.00
18	B_u	3075	3029	11.63
19	B_u	2935	2891	102.04
20	B_u	1448	1426	32.34
21	B_u	1370	1350	1.05
22	B_u	1134	1117	56.95
23	B_u	1083	1066	47.87
24	B_u	299	295	14.67

Atom	x (Å)	y (Å)	z (Å)
O1	-0.436	0.582	0.000
O2	0.436	-0.582	0.000
C3	0.436	1.670	0.000
C4	-0.436	-1.670	0.000
H5	-0.224	2.554	0.000
H6	1.073	1.682	0.906
H7	1.073	1.682	-0.906
H8	0.224	-2.554	0.000
H9	-1.073	-1.682	0.906
H10	-1.073	-1.682	-0.906

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4535	1.3940	2.2516	1.9832	2.0753	2.0753	3.2039	2.5202	2.5202
O2	1.4535		2.2516	1.3940	3.2039	2.5202	2.5202	1.9832	2.0753	2.0753
C3	1.3940	2.2516		3.4516	1.1027	1.1078	1.1078	4.2288	3.7858	3.7858
C4	2.2516	1.3940	3.4516		4.2288	3.7858	3.7858	1.1027	1.1078	1.1078
H5	1.9832	3.2039	1.1027	4.2288		1.8062	1.8062	5.1268	4.4138	4.4138
H6	2.0753	2.5202	1.1078	3.7858	1.8062		1.8123	4.4138	3.9900	4.3823
H7	2.0753	2.5202	1.1078	3.7858	1.8062	1.8123		4.4138	4.3823	3.9900
H8	3.2039	1.9832	4.2288	1.1027	5.1268	4.4138	4.4138		1.8062	1.8062
H9	2.5202	2.0753	3.7858	1.1078	4.4138	3.9900	4.3823	1.8062		1.8123
H10	2.5202	2.0753	3.7858	1.1078	4.4138	4.3823	3.9900	1.8062	1.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.490	O1	C3	H5	104.577
O1	C3	H6	111.592	O1	C3	H7	111.592
O2	O1	C3	104.490	O2	C4	H8	104.577
O2	C4	H9	111.592	O2	C4	H10	111.592
H5	C3	H6	109.588	H5	C3	H7	109.588
H6	C3	H7	109.772	H8	C4	H9	109.588
H8	C4	H10	109.588	H9	C4	H10	109.772

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: LSDA/6-31+G**

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	-0.182
2	O	-0.182
3	C	-0.371
4	C	-0.371
5	H	0.190
6	H	0.181
7	H	0.181
8	H	0.190
9	H	0.181
10	H	0.181

	x	y	z
x	5.159	0.357	0.000
y	0.357	7.381	0.000
z	0.000	0.000	4.905

<r²>	91.379
(<r²>)^1/2	9.559

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)