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	hartrees
Energy at 0K	-190.814031
Energy at 298.15K	-190.818625
Nuclear repulsion energy	79.531255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3543	20.11
2	A	3016	3021	19.19
3	A	2968	2973	60.56
4	A	2904	2909	45.92
5	A	1443	1445	11.01
6	A	1380	1382	4.31
7	A	1376	1378	2.38
8	A	1286	1288	39.52
9	A	1147	1149	6.43
10	A	1115	1117	2.34
11	A	965	966	16.75
12	A	802	804	12.98
13	A	422	423	6.86
14	A	257	257	6.33
15	A	152	152	100.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.137	-0.234	0.026
O2	-0.005	0.624	-0.030
O3	-1.189	-0.286	-0.097
H4	1.999	0.466	0.027
H5	1.154	-0.852	0.952
H6	1.201	-0.898	-0.865
H7	-1.627	-0.018	0.745

	C1	O2	O3	H4	H5	H6	H7
C1		1.4283	2.3295	1.1104	1.1144	1.1126	2.8636
O2	1.4283		1.4947	2.0107	2.1179	2.1129	1.9086
O3	2.3295	1.4947		3.2779	2.6292	2.5839	0.9862
H4	1.1104	2.0107	3.2779		1.8186	1.8142	3.7277
H5	1.1144	2.1179	2.6292	1.8186		1.8180	2.9108
H6	1.1126	2.1129	2.5839	1.8142	1.8180		3.3707
H7	2.8636	1.9086	0.9862	3.7277	2.9108	3.3707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	105.659	O2	C1	H4	104.050
O2	C1	H5	112.223	O2	C1	H6	111.923
O2	O3	H7	98.512	H4	C1	H5	109.654
H4	C1	H6	109.393	H5	C1	H6	109.446

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

using model chemistry: BLYP/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	0.160
2	O	-0.206
3	O	-0.156
4	H	0.021
5	H	-0.001
6	H	0.016
7	H	0.167

	x	y	z	Total
	0.533	-0.406	1.352	1.508
CHELPG
AIM
ESP

	x	y	z
x	4.500	0.212	-0.241
y	0.212	2.840	0.059
z	-0.241	0.059	2.813

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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