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	hartrees
Energy at 0K	-190.433035
Energy at 298.15K	-190.437761
HF Energy	-189.841652
Nuclear repulsion energy	81.344750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3610	31.27
2	A	3200	3031	16.91
3	A	3165	2997	44.04
4	A	3075	2912	33.17
5	A	1559	1477	8.35
6	A	1509	1429	7.23
7	A	1497	1418	0.37
8	A	1432	1356	58.63
9	A	1234	1169	6.05
10	A	1209	1145	2.26
11	A	1092	1034	24.03
12	A	885	838	11.88
13	A	459	434	10.23
14	A	275	260	4.71
15	A	151	143	160.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.120	-0.222	0.029
O2	-0.018	0.610	-0.036
O3	-1.143	-0.300	-0.079
H4	1.964	0.468	0.013
H5	1.126	-0.810	0.950
H6	1.165	-0.887	-0.836
H7	-1.689	0.079	0.619

	C1	O2	O3	H4	H5	H6	H7
C1		1.4117	2.2665	1.0904	1.0930	1.0922	2.8856
O2	1.4117		1.4472	1.9883	2.0737	2.0689	1.8714
O3	2.2665	1.4472		3.2017	2.5428	2.4982	0.9637
H4	1.0904	1.9883	3.2017		1.7928	1.7880	3.7232
H5	1.0930	2.0737	2.5428	1.7928		1.7888	2.9701
H6	1.0922	2.0689	2.4982	1.7880	1.7888		3.3453
H7	2.8856	1.8714	0.9637	3.7232	2.9701	3.3453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	104.890	O2	C1	H4	104.512
O2	C1	H5	111.140	O2	C1	H6	110.793
O2	O3	H7	99.890	H4	C1	H5	110.389
H4	C1	H6	110.009	H5	C1	H6	109.889

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

using model chemistry: MP2=FULL/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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Number	Element	Mulliken
1	C	-0.392
2	O	-0.235
3	O	-0.423
4	H	0.219
5	H	0.198
6	H	0.215
7	H	0.417

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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