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	hartrees
Energy at 0K	-189.782766
Energy at 298.15K	-189.785816
HF Energy	-189.198219
Nuclear repulsion energy	73.667732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3723	3616
2	A	3275	3180
3	A	3127	3037
4	A	1425	1384
5	A	1347	1308
6	A	1178	1145
7	A	1113	1081
8	A	784	762
9	A	703	683
10	A	474	460
11	A	265	258
12	A	190	185

Atom	x (Å)	y (Å)	z (Å)
C1	1.139	0.281	0.099
O2	0.082	-0.583	-0.079
O3	-1.152	0.232	-0.074
H4	1.053	1.269	-0.365
H5	2.082	-0.272	0.140
H6	-1.413	0.122	0.857

	C1	O2	O3	H4	H5	H6
C1		1.3767	2.2981	1.0949	1.0946	2.6676
O2	1.3767		1.4791	2.1110	2.0358	1.9003
O3	2.2981	1.4791		2.4546	3.2804	0.9738
H4	1.0949	2.1110	2.4546		1.9213	2.9827
H5	1.0946	2.0358	3.2804	1.9213		3.5904
H6	2.6676	1.9003	0.9738	2.9827	3.5904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.112	O2	C1	H4	116.860
O2	C1	H5	110.406	O2	O3	H6	99.501
H4	C1	H5	122.678

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

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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