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	hartrees
Energy at 0K	-265.321801
Energy at 298.15K	-265.327236
HF Energy	-264.646703
Nuclear repulsion energy	130.879531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3555	42.07
2	A	3727	3514	39.49
3	A	3194	3012	42.18
4	A	3083	2907	61.27
5	A	1606	1514	3.03
6	A	1469	1385	60.11
7	A	1423	1342	22.53
8	A	1382	1303	78.48
9	A	1258	1186	1.82
10	A	1180	1113	90.47
11	A	1104	1041	123.88
12	A	1063	1002	56.91
13	A	922	870	6.95
14	A	515	485	15.96
15	A	419	395	167.80
16	A	321	302	12.17
17	A	189	178	103.99
18	A	120	114	3.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.515	0.490	0.030
O2	-1.756	-0.123	-0.055
O3	0.469	-0.533	-0.140
O4	1.739	0.140	-0.034
H5	-1.846	-0.731	0.696
H6	2.112	-0.298	0.751
H7	-0.454	1.214	-0.787
H8	-0.337	0.999	0.990

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3865	1.4295	2.2819	1.9252	2.8359	1.0933	1.1013
O2	1.3865		2.2639	3.5046	0.9703	3.9545	2.0047	2.0893
O3	1.4295	2.2639		1.4408	2.4698	1.8834	2.0790	2.0667
O4	2.2819	3.5046	1.4408		3.7611	0.9739	2.5551	2.4686
H5	1.9252	0.9703	2.4698	3.7611		3.9820	2.8144	2.3145
H6	2.8359	3.9545	1.8834	0.9739	3.9820		3.3521	2.7809
H7	1.0933	2.0047	2.0790	2.5551	2.8144	3.3521		1.7939
H8	1.1013	2.0893	2.0667	2.4686	2.3145	2.7809	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.248	C1	O3	O4	105.312
O2	C1	O3	107.007	O2	C1	H7	107.298
O2	C1	H8	113.751	O3	C1	H7	110.281
O3	C1	H8	108.801	O3	O4	H6	100.733
H7	C1	H8	109.656

All results from a given calculation for HOCH₂OOH (hydroxy methyl peroxide)

using model chemistry: MP2/6-31G*

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 HOCH2OOH (hydroxy methyl peroxide)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for HOCH₂OOH (hydroxy methyl peroxide)