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	hartrees
Energy at 0K	-229.050302
Energy at 298.15K	-229.057259
Nuclear repulsion energy	134.911460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3061	3011	0.00
2	A_g	2924	2877	0.00
3	A_g	1474	1450	0.00
4	A_g	1392	1370	0.00
5	A_g	1249	1228	0.00
6	A_g	1067	1050	0.00
7	A_g	834	820	0.00
8	A_g	487	479	0.00
9	A_u	2984	2935	98.68
10	A_u	1392	1369	24.17
11	A_u	1145	1126	0.08
12	A_u	211	207	4.84
13	A_u	29	29	10.03
14	B_g	2984	2935	0.00
15	B_g	1390	1367	0.00
16	B_g	1153	1134	0.00
17	B_g	272	268	0.00
18	B_u	3060	3010	16.82
19	B_u	2920	2872	107.49
20	B_u	1466	1442	32.17
21	B_u	1385	1362	1.00
22	B_u	1145	1126	40.67
23	B_u	1090	1072	70.69
24	B_u	299	294	13.12

Atom	x (Å)	y (Å)	z (Å)
O1	-0.434	0.582	0.000
O2	0.434	-0.582	0.000
C3	0.434	1.664	0.000
C4	-0.434	-1.664	0.000
H5	-0.220	2.549	0.000
H6	1.073	1.674	0.904
H7	1.073	1.674	-0.904
H8	0.220	-2.549	0.000
H9	-1.073	-1.674	0.904
H10	-1.073	-1.674	-0.904

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4521	1.3879	2.2455	1.9786	2.0691	2.0691	3.1981	2.5125	2.5125
O2	1.4521		2.2455	1.3879	3.1981	2.5125	2.5125	1.9786	2.0691	2.0691
C3	1.3879	2.2455		3.4393	1.1008	1.1063	1.1063	4.2180	3.7723	3.7723
C4	2.2455	1.3879	3.4393		4.2180	3.7723	3.7723	1.1008	1.1063	1.1063
H5	1.9786	3.1981	1.1008	4.2180		1.8036	1.8036	5.1164	4.4017	4.4017
H6	2.0691	2.5125	1.1063	3.7723	1.8036		1.8075	4.4017	3.9765	4.3680
H7	2.0691	2.5125	1.1063	3.7723	1.8036	1.8075		4.4017	4.3680	3.9765
H8	3.1981	1.9786	4.2180	1.1008	5.1164	4.4017	4.4017		1.8036	1.8036
H9	2.5125	2.0691	3.7723	1.1063	4.4017	3.9765	4.3680	1.8036		1.8075
H10	2.5125	2.0691	3.7723	1.1063	4.4017	4.3680	3.9765	1.8036	1.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.478	O1	C3	H5	104.731
O1	C3	H6	111.614	O1	C3	H7	111.614
O2	O1	C3	104.478	O2	C4	H8	104.731
O2	C4	H9	111.614	O2	C4	H10	111.614
H5	C3	H6	109.610	H5	C3	H7	109.610
H6	C3	H7	109.547	H8	C4	H9	109.610
H8	C4	H10	109.610	H9	C4	H10	109.547

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: LSDA/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	-0.199
2	O	-0.199
3	C	-0.507
4	C	-0.507
5	H	0.247
6	H	0.229
7	H	0.229
8	H	0.247
9	H	0.229
10	H	0.229

	x	y	z
x	4.613	0.396	0.000
y	0.396	6.944	0.000
z	0.000	0.000	4.371

<r²>	90.782
(<r²>)^1/2	9.528

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)