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	hartrees
Energy at 0K	-189.681421
Energy at 298.15K	-189.684616
HF Energy	-189.183898
Nuclear repulsion energy	74.411690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3595	43.55
2	A	3336	3177	4.55
3	A	3182	3030	10.91
4	A	1450	1381	6.66
5	A	1377	1312	51.99
6	A	1219	1161	39.31
7	A	1170	1114	8.75
8	A	895	852	10.14
9	A	788	751	33.72
10	A	492	469	1.61
11	A	303	289	27.05
12	A	197	188	111.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	0.271	0.109
O2	0.072	-0.572	-0.072
O3	-1.133	0.237	-0.080
H4	1.041	1.277	-0.310
H5	2.071	-0.290	0.041
H6	-1.439	0.065	0.828

	C1	O2	O3	H4	H5	H6
C1		1.3689	2.2761	1.0940	1.0932	2.6806
O2	1.3689		1.4516	2.1010	2.0217	1.8704
O3	2.2761	1.4516		2.4203	3.2490	0.9734
H4	1.0940	2.1010	2.4203		1.9079	2.9856
H5	1.0932	2.0217	3.2490	1.9079		3.6147
H6	2.6806	1.8704	0.9734	2.9856	3.6147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.570	O2	C1	H4	116.651
O2	C1	H5	109.886	O2	O3	H6	99.038
H4	C1	H5	121.449

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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