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	hartrees
Energy at 0K	-230.180515
Energy at 298.15K	-230.187459
Nuclear repulsion energy	133.918988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3118	3009	0.00
2	A_g	3007	2902	0.00
3	A_g	1522	1469	0.00
4	A_g	1455	1404	0.00
5	A_g	1272	1227	0.00
6	A_g	1079	1041	0.00
7	A_g	855	825	0.00
8	A_g	487	470	0.00
9	A_u	3067	2960	92.22
10	A_u	1458	1407	8.96
11	A_u	1177	1136	2.05
12	A_u	205	198	2.80
13	A_u	14	13	9.04
14	B_g	3067	2960	0.00
15	B_g	1457	1406	0.00
16	B_g	1183	1142	0.00
17	B_g	262	252	0.00
18	B_u	3118	3009	30.53
19	B_u	3004	2899	96.36
20	B_u	1514	1461	25.32
21	B_u	1443	1393	7.95
22	B_u	1174	1133	12.33
23	B_u	1066	1029	101.94
24	B_u	304	294	10.19

Atom	x (Å)	y (Å)	z (Å)
O1	-0.437	0.584	0.000
O2	0.437	-0.584	0.000
C3	0.437	1.687	0.000
C4	-0.437	-1.687	0.000
H5	-0.217	2.564	0.000
H6	1.071	1.699	0.896
H7	1.071	1.699	-0.896
H8	0.217	-2.564	0.000
H9	-1.071	-1.699	0.896
H10	-1.071	-1.699	-0.896

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4583	1.4079	2.2705	1.9927	2.0787	2.0787	3.2147	2.5326	2.5326
O2	1.4583		2.2705	1.4079	3.2147	2.5326	2.5326	1.9927	2.0787	2.0787
C3	1.4079	2.2705		3.4855	1.0938	1.0974	1.0974	4.2567	3.8134	3.8134
C4	2.2705	1.4079	3.4855		4.2567	3.8134	3.8134	1.0938	1.0974	1.0974
H5	1.9927	3.2147	1.0938	4.2567		1.7911	1.7911	5.1462	4.4391	4.4391
H6	2.0787	2.5326	1.0974	3.8134	1.7911		1.7919	4.4391	4.0165	4.3981
H7	2.0787	2.5326	1.0974	3.8134	1.7911	1.7919		4.4391	4.3981	4.0165
H8	3.2147	1.9927	4.2567	1.0938	5.1462	4.4391	4.4391		1.7911	1.7911
H9	2.5326	2.0787	3.8134	1.0974	4.4391	4.0165	4.3981	1.7911		1.7919
H10	2.5326	2.0787	3.8134	1.0974	4.4391	4.3981	4.0165	1.7911	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.768	O1	C3	H5	104.907
O1	C3	H6	111.537	O1	C3	H7	111.537
O2	O1	C3	104.768	O2	C4	H8	104.907
O2	C4	H9	111.537	O2	C4	H10	111.537
H5	C3	H6	109.652	H5	C3	H7	109.652
H6	C3	H7	109.457	H8	C4	H9	109.652
H8	C4	H10	109.652	H9	C4	H10	109.457

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.174
2	O	-0.174
3	C	-0.196
4	C	-0.196
5	H	0.133
6	H	0.119
7	H	0.119
8	H	0.133
9	H	0.119
10	H	0.119

	x	y	z
x	4.398	0.263	0.000
y	0.263	6.847	0.000
z	0.000	0.000	4.164

<r²>	91.914
(<r²>)^1/2	9.587

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)