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	hartrees
Energy at 0K	-190.870053
Energy at 298.15K	-190.874807
HF Energy	-190.870053
Nuclear repulsion energy	80.971522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3588	21.41
2	A	3113	3004	21.25
3	A	3076	2968	50.98
4	A	3003	2898	40.31
5	A	1523	1470	8.78
6	A	1475	1423	3.71
7	A	1454	1403	3.00
8	A	1370	1323	44.63
9	A	1213	1170	5.54
10	A	1174	1133	2.27
11	A	1033	996	16.24
12	A	885	854	15.12
13	A	436	421	5.50
14	A	256	247	17.60
15	A	210	203	88.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.122	-0.222	0.021
O2	-0.025	0.605	-0.019
O3	-1.155	-0.271	-0.102
H4	1.965	0.473	0.037
H5	1.141	-0.850	0.923
H6	1.187	-0.860	-0.869
H7	-1.583	-0.109	0.751

	C1	O2	O3	H4	H5	H6	H7
C1		1.4144	2.2810	1.0934	1.0985	1.0970	2.8037
O2	1.4144		1.4329	1.9951	2.0886	2.0828	1.8793
O3	2.2810	1.4329		3.2112	2.5803	2.5341	0.9683
H4	1.0934	1.9951	3.2112		1.7929	1.7902	3.6658
H5	1.0985	2.0886	2.5803	1.7929		1.7919	2.8277
H6	1.0970	2.0828	2.5341	1.7902	1.7919		3.2956
H7	2.8037	1.8793	0.9683	3.6658	2.8277	3.2956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	106.469	O2	C1	H4	104.684
O2	C1	H5	111.821	O2	C1	H6	111.431
O2	O3	H7	101.239	H4	C1	H5	109.765
H4	C1	H6	109.625	H5	C1	H6	109.412

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

using model chemistry: TPSSh/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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All results from a given calculation for CH3OOH (Methyl peroxide)

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

States and conformations

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