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	hartrees
Energy at 0K	-189.662068
Energy at 298.15K	-189.665207
HF Energy	-189.162176
Nuclear repulsion energy	74.099436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3522	29.47
2	A	3305	3148	8.55
3	A	3169	3018	10.15
4	A	1472	1402	5.09
5	A	1405	1338	51.10
6	A	1218	1159	21.21
7	A	1167	1111	18.77
8	A	873	831	6.10
9	A	797	759	35.52
10	A	489	466	1.78
11	A	290	277	39.48
12	A	185	176	119.77

Atom	x (Å)	y (Å)	z (Å)
C1	1.142	0.273	0.111
O2	0.073	-0.574	-0.076
O3	-1.137	0.240	-0.078
H4	1.054	1.264	-0.325
H5	2.072	-0.288	0.060
H6	-1.461	0.059	0.826

	C1	O2	O3	H4	H5	H6
C1		1.3775	2.2878	1.0864	1.0866	2.7085
O2	1.3775		1.4587	2.0988	2.0241	1.8885
O3	2.2878	1.4587		2.4312	3.2552	0.9775
H4	1.0864	2.0988	2.4312		1.8953	3.0174
H5	1.0866	2.0241	3.2552	1.8953		3.6315
H6	2.7085	1.8885	0.9775	3.0174	3.6315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.503	O2	C1	H4	116.324
O2	C1	H5	109.898	O2	O3	H6	99.755
H4	C1	H5	121.438

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

using model chemistry: QCISD/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 CH2OOH (CH2OOH radical)

using model chemistry: QCISD/6-31G*

States and conformations

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