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	hartrees
Energy at 0K	-229.488633
Energy at 298.15K	-229.495604
Nuclear repulsion energy	133.432007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3170	3019	0.00
2	A_g	3063	2917	0.00
3	A_g	1566	1492	0.00
4	A_g	1496	1425	0.00
5	A_g	1288	1226	0.00
6	A_g	1114	1061	0.00
7	A_g	848	808	0.00
8	A_g	493	470	0.00
9	A_u	3138	2988	85.56
10	A_u	1514	1442	7.48
11	A_u	1198	1141	1.90
12	A_u	216	206	3.37
13	A_u	7	7	12.52
14	B_g	3137	2988	0.00
15	B_g	1514	1442	0.00
16	B_g	1203	1146	0.00
17	B_g	271	258	0.00
18	B_u	3170	3019	37.83
19	B_u	3060	2914	76.77
20	B_u	1561	1486	19.83
21	B_u	1487	1416	9.52
22	B_u	1197	1140	7.50
23	B_u	1090	1038	108.94
24	B_u	310	295	12.39

Atom	x (Å)	y (Å)	z (Å)
O1	-0.446	0.583	0.000
O2	0.446	-0.583	0.000
C3	0.446	1.688	0.000
C4	-0.446	-1.688	0.000
H5	-0.204	2.569	0.000
H6	1.075	1.683	0.899
H7	1.075	1.683	-0.899
H8	0.204	-2.569	0.000
H9	-1.075	-1.683	0.899
H10	-1.075	-1.683	-0.899

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4688	1.4201	2.2717	2.0006	2.0809	2.0809	3.2190	2.5175	2.5175
O2	1.4688		2.2717	1.4201	3.2190	2.5175	2.5175	2.0006	2.0809	2.0809
C3	1.4201	2.2717		3.4924	1.0949	1.0970	1.0970	4.2644	3.8059	3.8059
C4	2.2717	1.4201	3.4924		4.2644	3.8059	3.8059	1.0949	1.0970	1.0970
H5	2.0006	3.2190	1.0949	4.2644		1.7974	1.7974	5.1547	4.4322	4.4322
H6	2.0809	2.5175	1.0970	3.8059	1.7974		1.7970	4.4322	3.9937	4.3794
H7	2.0809	2.5175	1.0970	3.8059	1.7974	1.7970		4.4322	4.3794	3.9937
H8	3.2190	2.0006	4.2644	1.0949	5.1547	4.4322	4.4322		1.7974	1.7974
H9	2.5175	2.0809	3.8059	1.0970	4.4322	3.9937	4.3794	1.7974		1.7970
H10	2.5175	2.0809	3.8059	1.0970	4.4322	4.3794	3.9937	1.7974	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.682	O1	C3	H5	104.660
O1	C3	H6	110.875	O1	C3	H7	110.875
O2	O1	C3	103.682	O2	C4	H8	104.660
O2	C4	H9	110.875	O2	C4	H10	110.875
H5	C3	H6	110.174	H5	C3	H7	110.174
H6	C3	H7	109.974	H8	C4	H9	110.174
H8	C4	H10	110.174	H9	C4	H10	109.974

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: QCISD/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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All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)