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	hartrees
Energy at 0K	-190.867843
Energy at 298.15K	-190.872601
HF Energy	-190.867843
Nuclear repulsion energy	81.137797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3619	25.55
2	A	3112	3003	18.04
3	A	3072	2965	46.20
4	A	3004	2899	38.80
5	A	1513	1460	9.62
6	A	1462	1411	4.49
7	A	1451	1400	2.07
8	A	1387	1338	46.24
9	A	1214	1172	5.32
10	A	1176	1135	2.24
11	A	1049	1012	16.13
12	A	897	865	15.97
13	A	451	435	5.57
14	A	255	246	12.82
15	A	201	194	96.90

Atom	x (Å)	y (Å)	z (Å)
C1	1.121	-0.226	0.019
O2	-0.018	0.609	-0.015
O3	-1.165	-0.265	-0.106
H4	1.973	0.462	0.034
H5	1.140	-0.855	0.919
H6	1.178	-0.862	-0.872
H7	-1.553	-0.141	0.773

	C1	O2	O3	H4	H5	H6	H7
C1		1.4127	2.2901	1.0947	1.0982	1.0962	2.7796
O2	1.4127		1.4454	1.9963	2.0870	2.0809	1.8815
O3	2.2901	1.4454		3.2239	2.5908	2.5369	0.9680
H4	1.0947	1.9963	3.2239		1.7917	1.7903	3.6522
H5	1.0982	2.0870	2.5908	1.7917		1.7915	2.7898
H6	1.0962	2.0809	2.5369	1.7903	1.7915		3.2687
H7	2.7796	1.8815	0.9680	3.6522	2.7898	3.2687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	106.494	O2	C1	H4	104.816
O2	C1	H5	111.832	O2	C1	H6	111.451
O2	O3	H7	100.580	H4	C1	H5	109.579
H4	C1	H6	109.601	H5	C1	H6	109.454

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

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

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

States and conformations

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