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	hartrees
Energy at 0K	-189.793285
Energy at 298.15K	-189.796549
HF Energy	-189.189200
Nuclear repulsion energy	75.202379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3847	3644	40.07
2	A	3341	3164	2.94
3	A	3197	3029	8.31
4	A	1476	1398	10.47
5	A	1447	1371	52.34
6	A	1241	1176	36.59
7	A	1200	1136	13.26
8	A	934	884	9.73
9	A	769	728	33.58
10	A	510	483	1.79
11	A	311	295	34.76
12	A	225	213	100.49

Atom	x (Å)	y (Å)	z (Å)
C1	1.129	0.267	0.101
O2	0.064	-0.567	-0.063
O3	-1.119	0.229	-0.083
H4	1.032	1.263	-0.309
H5	2.058	-0.284	0.045
H6	-1.419	0.131	0.827

	C1	O2	O3	H4	H5	H6
C1		1.3625	2.2562	1.0815	1.0815	2.6529
O2	1.3625		1.4260	2.0844	2.0170	1.8650
O3	2.2562	1.4260		2.3971	3.2210	0.9632
H4	1.0815	2.0844	2.3971		1.8899	2.9285
H5	1.0815	2.0170	3.2210	1.8899		3.5881
H6	2.6529	1.8650	0.9632	2.9285	3.5881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.995	O2	C1	H4	116.576
O2	C1	H5	110.709	O2	O3	H6	100.845
H4	C1	H5	121.788

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

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

States and conformations

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