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	hartrees
Energy at 0K	-189.696212
Energy at 298.15K	-189.699381
HF Energy	-189.180309
Nuclear repulsion energy	74.434730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3630	44.76
2	A	3371	3176	3.28
3	A	3225	3039	10.45
4	A	1488	1402	9.97
5	A	1413	1331	52.53
6	A	1221	1151	32.57
7	A	1190	1121	26.22
8	A	914	861	13.25
9	A	777	732	33.28
10	A	493	465	1.69
11	A	275	260	36.15
12	A	203	191	132.69

Atom	x (Å)	y (Å)	z (Å)
C1	1.146	0.262	0.113
O2	0.069	-0.567	-0.079
O3	-1.125	0.255	-0.070
H4	1.052	1.269	-0.268
H5	2.066	-0.297	0.036
H6	-1.543	-0.056	0.747

	C1	O2	O3	H4	H5	H6
C1		1.3728	2.2786	1.0798	1.0798	2.7806
O2	1.3728		1.4498	2.0909	2.0191	1.8812
O3	2.2786	1.4498		2.4100	3.2409	0.9682
H4	1.0798	2.0909	2.4100		1.8899	3.0851
H5	1.0798	2.0191	3.2409	1.8899		3.6861
H6	2.7806	1.8812	0.9682	3.0851	3.6861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.628	O2	C1	H4	116.462
O2	C1	H5	110.249	O2	O3	H6	100.256
H4	C1	H5	122.119

All results from a given calculation for CH₂OOH (CH2OOH radical)

using model chemistry: CCD/6-31+G**

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 CH2OOH (CH2OOH radical)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₂OOH (CH2OOH radical)