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	hartrees
Energy at 0K	-189.904921
Energy at 298.15K	-189.908114
HF Energy	-189.251327
Nuclear repulsion energy	75.146665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3659	42.08
2	A	3318	3175	1.30
3	A	3175	3039	8.85
4	A	1469	1406	10.92
5	A	1425	1364	50.43
6	A	1230	1177	47.92
7	A	1192	1141	11.55
8	A	936	895	13.57
9	A	699	669	38.76
10	A	503	481	1.57
11	A	294	281	34.24
12	A	207	199	99.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.134	0.263	0.097
O2	0.064	-0.564	-0.064
O3	-1.120	0.232	-0.082
H4	1.033	1.271	-0.275
H5	2.061	-0.287	0.048
H6	-1.449	0.094	0.813

	C1	O2	O3	H4	H5	H6
C1		1.3613	2.2614	1.0791	1.0789	2.6853
O2	1.3613		1.4278	2.0857	2.0190	1.8687
O3	2.2614	1.4278		2.3983	3.2261	0.9637
H4	1.0791	2.0857	2.3983		1.8940	2.9540
H5	1.0789	2.0190	3.2261	1.8940		3.6122
H6	2.6853	1.8687	0.9637	2.9540	3.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.322	O2	C1	H4	116.979
O2	C1	H5	111.133	O2	O3	H6	100.991
H4	C1	H5	122.725

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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