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	hartrees
Energy at 0K	-189.800639
Energy at 298.15K	-189.803848
HF Energy	-189.188481
Nuclear repulsion energy	74.923764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3821	3620	36.38
2	A	3322	3147	3.80
3	A	3181	3013	7.80
4	A	1463	1386	5.03
5	A	1427	1352	49.14
6	A	1227	1163	25.03
7	A	1177	1115	14.69
8	A	897	850	6.97
9	A	773	732	35.01
10	A	502	476	1.75
11	A	307	291	33.16
12	A	202	191	100.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.131	0.271	0.101
O2	0.067	-0.571	-0.065
O3	-1.127	0.226	-0.082
H4	1.038	1.257	-0.337
H5	2.060	-0.283	0.064
H6	-1.401	0.155	0.840

	C1	O2	O3	H4	H5	H6
C1		1.3667	2.2651	1.0825	1.0827	2.6394
O2	1.3667		1.4349	2.0869	2.0183	1.8705
O3	2.2651	1.4349		2.4104	3.2305	0.9646
H4	1.0825	2.0869	2.4104		1.8911	2.9228
H5	1.0827	2.0183	3.2305	1.8911		3.5737
H6	2.6394	1.8705	0.9646	2.9228	3.5737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.871	O2	C1	H4	116.397
O2	C1	H5	110.439	O2	O3	H6	100.603
H4	C1	H5	121.709

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

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

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