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	hartrees
Energy at 0K	-189.710417
Energy at 298.15K	-189.713562
HF Energy	-189.184094
Nuclear repulsion energy	74.329407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3624	35.95
2	A	3295	3161	6.34
3	A	3153	3025	10.44
4	A	1442	1383	7.39
5	A	1395	1339	42.43
6	A	1208	1159	30.35
7	A	1156	1109	12.45
8	A	861	826	5.84
9	A	767	735	33.61
10	A	493	473	1.54
11	A	294	282	29.53
12	A	182	175	108.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.139	0.270	0.109
O2	0.068	-0.572	-0.072
O3	-1.133	0.237	-0.079
H4	1.050	1.276	-0.318
H5	2.077	-0.295	0.052
H6	-1.444	0.078	0.828

	C1	O2	O3	H4	H5	H6
C1		1.3740	2.2805	1.0965	1.0960	2.6883
O2	1.3740		1.4483	2.1068	2.0315	1.8758
O3	2.2805	1.4483		2.4300	3.2565	0.9723
H4	1.0965	2.1068	2.4300		1.9125	2.9951
H5	1.0960	2.0315	3.2565	1.9125		3.6245
H6	2.6883	1.8758	0.9723	2.9951	3.6245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.780	O2	C1	H4	116.591
O2	C1	H5	110.158	O2	O3	H6	99.729
H4	C1	H5	121.456

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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