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	hartrees
Energy at 0K	-230.127289
Energy at 298.15K	-230.134279
Nuclear repulsion energy	134.314080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	3020	0.00
2	A_g	3019	2907	0.00
3	A_g	1535	1478	0.00
4	A_g	1464	1410	0.00
5	A_g	1282	1235	0.00
6	A_g	1091	1050	0.00
7	A_g	856	824	0.00
8	A_g	491	473	0.00
9	A_u	3085	2970	114.39
10	A_u	1472	1417	15.18
11	A_u	1186	1141	1.26
12	A_u	212	204	3.83
13	A_u	21	21	11.35
14	B_g	3084	2969	0.00
15	B_g	1470	1416	0.00
16	B_g	1191	1146	0.00
17	B_g	270	260	0.00
18	B_u	3136	3019	37.72
19	B_u	3015	2903	109.31
20	B_u	1528	1471	27.46
21	B_u	1455	1401	2.83
22	B_u	1186	1142	12.31
23	B_u	1081	1040	112.89
24	B_u	304	293	11.48

Atom	x (Å)	y (Å)	z (Å)
O1	-0.435	0.581	0.000
O2	0.435	-0.581	0.000
C3	0.435	1.684	0.000
C4	-0.435	-1.684	0.000
H5	-0.223	2.555	0.000
H6	1.064	1.694	0.897
H7	1.064	1.694	-0.897
H8	0.223	-2.555	0.000
H9	-1.064	-1.694	0.897
H10	-1.064	-1.694	-0.897

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4517	1.4040	2.2648	1.9853	2.0712	2.0712	3.2047	2.5254	2.5254
O2	1.4517		2.2648	1.4040	3.2047	2.5254	2.5254	1.9853	2.0712	2.0712
C3	1.4040	2.2648		3.4775	1.0920	1.0956	1.0956	4.2440	3.8026	3.8026
C4	2.2648	1.4040	3.4775		4.2440	3.8026	3.8026	1.0920	1.0956	1.0956
H5	1.9853	3.2047	1.0920	4.2440		1.7896	1.7896	5.1298	4.4237	4.4237
H6	2.0712	2.5254	1.0956	3.8026	1.7896		1.7932	4.4237	4.0015	4.3849
H7	2.0712	2.5254	1.0956	3.8026	1.7896	1.7932		4.4237	4.3849	4.0015
H8	3.2047	1.9853	4.2440	1.0920	5.1298	4.4237	4.4237		1.7896	1.7896
H9	2.5254	2.0712	3.8026	1.0956	4.4237	4.0015	4.3849	1.7896		1.7932
H10	2.5254	2.0712	3.8026	1.0956	4.4237	4.3849	4.0015	1.7896	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.936	O1	C3	H5	104.695
O1	C3	H6	111.316	O1	C3	H7	111.316
O2	O1	C3	104.936	O2	C4	H8	104.695
O2	C4	H9	111.316	O2	C4	H10	111.316
H5	C3	H6	109.778	H5	C3	H7	109.778
H6	C3	H7	109.841	H8	C4	H9	109.778
H8	C4	H10	109.778	H9	C4	H10	109.841

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3PW91/6-311G*

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	-0.230
2	O	-0.230
3	C	-0.414
4	C	-0.414
5	H	0.223
6	H	0.210
7	H	0.210
8	H	0.223
9	H	0.210
10	H	0.210

	x	y	z
x	4.362	0.235	0.000
y	0.235	6.599	0.000
z	0.000	0.000	4.083

<r²>	91.535
(<r²>)^1/2	9.567

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)