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	hartrees
Energy at 0K	-190.542869
Energy at 298.15K	-190.547627
HF Energy	-189.876200
Nuclear repulsion energy	81.289930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3612	42.58
2	A	3182	3021	13.50
3	A	3153	2993	34.98
4	A	3064	2909	32.37
5	A	1533	1456	8.49
6	A	1487	1412	5.96
7	A	1464	1390	1.22
8	A	1372	1303	55.79
9	A	1218	1157	6.69
10	A	1187	1127	2.71
11	A	1075	1020	19.38
12	A	886	841	13.08
13	A	451	429	6.65
14	A	265	251	5.07
15	A	183	174	113.41

Atom	x (Å)	y (Å)	z (Å)
C1	1.115	-0.229	0.024
O2	-0.016	0.616	-0.026
O3	-1.154	-0.282	-0.097
H4	1.967	0.449	0.025
H5	1.121	-0.834	0.931
H6	1.159	-0.875	-0.851
H7	-1.584	-0.048	0.736

	C1	O2	O3	H4	H5	H6	H7
C1		1.4129	2.2728	1.0878	1.0900	1.0888	2.7974
O2	1.4129		1.4511	1.9902	2.0763	2.0701	1.8658
O3	2.2728	1.4511		3.2068	2.5560	2.5038	0.9658
H4	1.0878	1.9902	3.2068		1.7833	1.7811	3.6548
H5	1.0900	2.0763	2.5560	1.7833		1.7823	2.8232
H6	1.0888	2.0701	2.5038	1.7811	1.7823		3.2749
H7	2.7974	1.8658	0.9658	3.6548	2.8232	3.2749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	105.031	O2	C1	H4	104.724
O2	C1	H5	111.453	O2	C1	H6	111.010
O2	O3	H7	99.085	H4	C1	H5	109.947
H4	C1	H6	109.825	H5	C1	H6	109.775

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

using model chemistry: MP2/cc-pVTZ

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	-0.111
2	O	-0.182
3	O	-0.242
4	H	0.111
5	H	0.080
6	H	0.097
7	H	0.247

	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-pVTZ

States and conformations

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