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	hartrees
Energy at 0K	-190.340251
Energy at 298.15K	-190.344991
HF Energy	-189.812784
Nuclear repulsion energy	80.875877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3611	42.00
2	A	3198	3046	16.62
3	A	3159	3009	46.26
4	A	3065	2920	35.99
5	A	1518	1446	9.38
6	A	1467	1398	5.00
7	A	1454	1384	2.77
8	A	1367	1302	52.75
9	A	1212	1154	8.34
10	A	1179	1123	3.19
11	A	1078	1026	20.79
12	A	864	823	10.09
13	A	454	432	6.86
14	A	273	260	4.82
15	A	171	163	118.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.118	-0.227	0.026
O2	-0.015	0.618	-0.030
O3	-1.158	-0.287	-0.094
H4	1.979	0.460	0.030
H5	1.125	-0.842	0.943
H6	1.173	-0.887	-0.857
H7	-1.602	-0.016	0.727

	C1	O2	O3	H4	H5	H6	H7
C1		1.4149	2.2795	1.1014	1.1048	1.1034	2.8164
O2	1.4149		1.4582	2.0011	2.0929	2.0881	1.8684
O3	2.2795	1.4582		3.2262	2.5682	2.5247	0.9720
H4	1.1014	2.0011	3.2262		1.8055	1.8026	3.6783
H5	1.1048	2.0929	2.5682	1.8055		1.8020	2.8571
H6	1.1034	2.0881	2.5247	1.8026	1.8020		3.3115
H7	2.8164	1.8684	0.9720	3.6783	2.8571	3.3115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	104.995	O2	C1	H4	104.675
O2	C1	H5	111.731	O2	C1	H6	111.430
O2	O3	H7	98.512	H4	C1	H5	109.839
H4	C1	H6	109.684	H5	C1	H6	109.384

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

using model chemistry: MP2/cc-pVDZ

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	0.112
2	O	-0.243
3	O	-0.170
4	H	0.049
5	H	0.025
6	H	0.042
7	H	0.185

	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/cc-pVDZ

States and conformations

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