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	hartrees
Energy at 0K	-189.603987
Energy at 298.15K	-189.607254
HF Energy	-189.165036
Nuclear repulsion energy	75.024719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3852	3558	45.76
2	A	3393	3135	7.19
3	A	3255	3006	11.63
4	A	1519	1403	12.57
5	A	1473	1361	55.55
6	A	1261	1165	36.41
7	A	1232	1138	17.80
8	A	972	898	12.41
9	A	824	762	31.89
10	A	510	471	1.90
11	A	302	279	41.27
12	A	220	203	125.85

Atom	x (Å)	y (Å)	z (Å)
C1	1.137	0.262	0.111
O2	0.061	-0.563	-0.072
O3	-1.118	0.241	-0.078
H4	1.052	1.259	-0.295
H5	2.057	-0.299	0.035
H6	-1.477	0.042	0.799

	C1	O2	O3	H4	H5	H6
C1		1.3674	2.2633	1.0799	1.0798	2.7116
O2	1.3674		1.4274	2.0850	2.0157	1.8680
O3	2.2633	1.4274		2.4067	3.2227	0.9676
H4	1.0799	2.0850	2.4067		1.8828	3.0114
H5	1.0798	2.0157	3.2227	1.8828		3.6313
H6	2.7116	1.8680	0.9676	3.0114	3.6313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.146	O2	C1	H4	116.368
O2	C1	H5	110.356	O2	O3	H6	100.764
H4	C1	H5	121.333

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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