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	hartrees
Energy at 0K	-39.325720
Energy at 298.15K	-39.330219
HF Energy	-39.011296
Nuclear repulsion energy	46.495343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3491	14.17
2	A	3189	3082	34.20
3	A	3175	3068	63.80
4	A	3049	2946	40.70
5	A	1539	1487	8.19
6	A	1489	1438	5.34
7	A	1462	1413	0.29
8	A	1306	1262	51.01
9	A	1146	1107	16.31
10	A	1145	1107	0.12
11	A	969	937	25.10
12	A	765	739	4.87
13	A	385	372	21.78
14	A	223	216	47.88
15	A	150	145	177.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.186	-0.239	0.000
O2	0.005	0.655	-0.000
O3	1.194	-0.357	-0.000
H4	-2.035	0.472	-0.000
H5	-1.186	-0.865	-0.913
H6	-1.186	-0.865	0.913
H7	1.936	0.306	0.000

	C1	O2	O3	H4	H5	H6	H7
C1		1.4892	2.3833	1.1067	1.1069	1.1069	3.1700
O2	1.4892		1.5615	2.0478	2.1360	2.1360	1.9629
O3	2.3833	1.5615		3.3335	2.5993	2.5993	0.9956
H4	1.1067	2.0478	3.3335		1.8278	1.8278	3.9747
H5	1.1069	2.1360	2.5993	1.8278		1.8251	3.4578
H6	1.1069	2.1360	2.5993	1.8278	1.8251		3.4577
H7	3.1700	1.9629	0.9956	3.9747	3.4578	3.4577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	102.721	O2	C1	H4	103.170
O2	C1	H5	109.849	O2	C1	H6	109.849
O2	O3	H7	97.823	H4	C1	H5	111.317
H4	C1	H6	111.321	H5	C1	H6	111.057

All results from a given calculation for CH₃OOH (Methyl peroxide)

using model chemistry: MP2/CEP-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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Number	Element	Mulliken
1	C	-0.221
2	O	-0.239
3	O	-0.371
4	H	0.166
5	H	0.152
6	H	0.152
7	H	0.361

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3OOH (Methyl peroxide)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CH₃OOH (Methyl peroxide)