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	hartrees
Energy at 0K	-190.810005
Energy at 298.15K	-190.814636
Nuclear repulsion energy	79.537930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3567	12.25
2	A	3033	3009	21.98
3	A	2996	2973	56.54
4	A	2930	2908	43.87
5	A	1489	1477	10.02
6	A	1429	1418	3.42
7	A	1415	1404	2.70
8	A	1296	1286	42.30
9	A	1166	1157	4.03
10	A	1139	1130	1.92
11	A	969	961	17.46
12	A	809	803	12.63
13	A	422	419	7.14
14	A	253	251	8.96
15	A	177	176	104.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.138	-0.236	0.024
O2	-0.004	0.626	-0.026
O3	-1.193	-0.281	-0.100
H4	1.996	0.456	0.024
H5	1.156	-0.852	0.942
H6	1.195	-0.891	-0.863
H7	-1.605	-0.054	0.763

	C1	O2	O3	H4	H5	H6	H7
C1		1.4312	2.3340	1.1029	1.1058	1.1039	2.8463
O2	1.4312		1.4976	2.0074	2.1134	2.1070	1.9100
O3	2.3340	1.4976		3.2753	2.6323	2.5794	0.9831
H4	1.1029	2.0074	3.2753		1.8052	1.8016	3.7110
H5	1.1058	2.1134	2.6323	1.8052		1.8055	2.8799
H6	1.1039	2.1070	2.5794	1.8016	1.8055		3.3440
H7	2.8463	1.9100	0.9831	3.7110	2.8799	3.3440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	105.655	O2	C1	H4	104.029
O2	C1	H5	112.191	O2	C1	H6	111.784
O2	O3	H7	98.569	H4	C1	H5	109.634
H4	C1	H6	109.454	H5	C1	H6	109.590

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

using model chemistry: BLYP/6-31G**

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	-0.024
2	O	-0.278
3	O	-0.315
4	H	0.107
5	H	0.087
6	H	0.106
7	H	0.317

	x	y	z	Total
	0.674	-0.534	1.436	1.674
CHELPG
AIM
ESP

	x	y	z
x	4.338	0.261	-0.246
y	0.261	2.762	0.060
z	-0.246	0.060	2.780

<r²>	47.355
(<r²>)^1/2	6.882

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

using model chemistry: BLYP/6-31G**

States and conformations

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