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	hartrees
Energy at 0K	-190.377282
Energy at 298.15K	-190.382005
HF Energy	-189.841489
Nuclear repulsion energy	81.283223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3620	30.87
2	A	3197	3038	17.25
3	A	3162	3005	44.47
4	A	3072	2920	33.23
5	A	1558	1481	8.29
6	A	1508	1433	7.04
7	A	1496	1422	0.42
8	A	1430	1359	58.46
9	A	1233	1172	6.12
10	A	1207	1147	2.30
11	A	1089	1035	23.95
12	A	884	840	11.86
13	A	457	435	10.22
14	A	274	260	4.65
15	A	151	144	160.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.119	-0.221	0.024
O2	-0.025	0.604	-0.024
O3	-1.145	-0.277	-0.096
H4	1.958	0.475	0.034
H5	1.129	-0.837	0.929
H6	1.177	-0.863	-0.859
H7	-1.617	-0.063	0.715

	C1	O2	O3	H4	H5	H6	H7
C1		1.4111	2.2671	1.0905	1.0950	1.0934	2.8257
O2	1.4111		1.4261	1.9888	2.0782	2.0723	1.8773
O3	2.2671	1.4261		3.1954	2.5568	2.5129	0.9627
H4	1.0905	1.9888	3.1954		1.7913	1.7884	3.6790
H5	1.0950	2.0782	2.5568	1.7913		1.7889	2.8613
H6	1.0934	2.0723	2.5129	1.7884	1.7889		3.3048
H7	2.8257	1.8773	0.9627	3.6790	2.8613	3.3048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	106.079	O2	C1	H4	104.582
O2	C1	H5	111.422	O2	C1	H6	111.036
O2	O3	H7	101.847	H4	C1	H5	110.096
H4	C1	H6	109.947	H5	C1	H6	109.658

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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