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	hartrees
Energy at 0K	-190.313823
Energy at 298.15K	-190.318592
HF Energy	-189.793677
Nuclear repulsion energy	81.084285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3548	34.50
2	A	3207	3009	17.87
3	A	3180	2984	39.90
4	A	3098	2907	28.64
5	A	1572	1475	7.73
6	A	1531	1437	4.34
7	A	1511	1418	2.31
8	A	1431	1343	59.76
9	A	1248	1171	5.19
10	A	1210	1136	2.31
11	A	1111	1042	21.78
12	A	918	861	12.90
13	A	463	435	7.43
14	A	262	246	7.03
15	A	185	173	135.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.121	-0.222	0.023
O2	-0.025	0.606	-0.023
O3	-1.151	-0.275	-0.099
H4	1.965	0.471	0.036
H5	1.133	-0.842	0.927
H6	1.180	-0.863	-0.862
H7	-1.601	-0.078	0.738

	C1	O2	O3	H4	H5	H6	H7
C1		1.4146	2.2761	1.0923	1.0963	1.0948	2.8186
O2	1.4146		1.4321	1.9955	2.0835	2.0770	1.8792
O3	2.2761	1.4321		3.2073	2.5677	2.5219	0.9710
H4	1.0923	1.9955	3.2073		1.7922	1.7899	3.6763
H5	1.0963	2.0835	2.5677	1.7922		1.7903	2.8460
H6	1.0948	2.0770	2.5219	1.7899	1.7903		3.3035
H7	2.8186	1.8792	0.9710	3.6763	2.8460	3.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	106.179	O2	C1	H4	104.772
O2	C1	H5	111.525	O2	C1	H6	111.079
O2	O3	H7	101.146	H4	C1	H5	109.947
H4	C1	H6	109.844	H5	C1	H6	109.580

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

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3OOH (Methyl peroxide)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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