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	hartrees
Energy at 0K	-227.580306
Energy at 298.15K	-227.587376
Nuclear repulsion energy	132.736413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3302	2991	0.00
2	A_g	3225	2920	0.00
3	A_g	1699	1538	0.00
4	A_g	1607	1456	0.00
5	A_g	1367	1238	0.00
6	A_g	1237	1120	0.00
7	A_g	957	867	0.00
8	A_g	498	451	0.00
9	A_u	3300	2989	80.00
10	A_u	1655	1499	8.82
11	A_u	1257	1138	1.17
12	A_u	198	179	3.38
13	A_u	40	36	20.23
14	B_g	3299	2988	0.00
15	B_g	1655	1499	0.00
16	B_g	1261	1142	0.00
17	B_g	246	223	0.00
18	B_u	3302	2990	42.06
19	B_u	3222	2918	64.41
20	B_u	1693	1534	16.60
21	B_u	1587	1437	27.64
22	B_u	1262	1143	2.53
23	B_u	1090	987	136.73
24	B_u	301	272	15.82

Atom	x (Å)	y (Å)	z (Å)
O1	-0.446	0.581	0.000
O2	0.446	-0.581	0.000
C3	0.446	1.716	0.000
C4	-0.446	-1.716	0.000
H5	-0.197	2.584	0.000
H6	1.065	1.705	0.885
H7	1.065	1.705	-0.885
H8	0.197	-2.584	0.000
H9	-1.065	-1.705	0.885
H10	-1.065	-1.705	-0.885

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4647	1.4444	2.2965	2.0187	2.0809	2.0809	3.2291	2.5273	2.5273
O2	1.4647		2.2965	1.4444	3.2291	2.5273	2.5273	2.0187	2.0809	2.0809
C3	1.4444	2.2965		3.5462	1.0803	1.0793	1.0793	4.3070	3.8428	3.8428
C4	2.2965	1.4444	3.5462		4.3070	3.8428	3.8428	1.0803	1.0793	1.0793
H5	2.0187	3.2291	1.0803	4.3070		1.7741	1.7741	5.1825	4.4639	4.4639
H6	2.0809	2.5273	1.0793	3.8428	1.7741		1.7690	4.4639	4.0199	4.3919
H7	2.0809	2.5273	1.0793	3.8428	1.7741	1.7690		4.4639	4.3919	4.0199
H8	3.2291	2.0187	4.3070	1.0803	5.1825	4.4639	4.4639		1.7741	1.7741
H9	2.5273	2.0809	3.8428	1.0793	4.4639	4.0199	4.3919	1.7741		1.7690
H10	2.5273	2.0809	3.8428	1.0793	4.4639	4.3919	4.0199	1.7741	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.261	O1	C3	H5	105.264
O1	C3	H6	110.240	O1	C3	H7	110.240
O2	O1	C3	104.261	O2	C4	H8	105.264
O2	C4	H9	110.240	O2	C4	H10	110.240
H5	C3	H6	110.467	H5	C3	H7	110.467
H6	C3	H7	110.070	H8	C4	H9	110.467
H8	C4	H10	110.467	H9	C4	H10	110.070

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: HF/3-21G

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	-0.385
2	O	-0.385
3	C	-0.243
4	C	-0.243
5	H	0.212
6	H	0.208
7	H	0.208
8	H	0.212
9	H	0.208
10	H	0.208

	x	y	z
x	3.544	-0.063	0.000
y	-0.063	6.157	0.000
z	0.000	0.000	3.231

<r²>	93.111
(<r²>)^1/2	9.649

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)