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	hartrees
Energy at 0K	-189.898030
Energy at 298.15K	-189.901184
HF Energy	-189.247296
Nuclear repulsion energy	74.951956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3814	3645	36.67
2	A	3303	3156	3.16
3	A	3161	3021	8.58
4	A	1462	1397	6.04
5	A	1413	1350	46.34
6	A	1221	1167	31.06
7	A	1176	1124	11.81
8	A	909	869	9.25
9	A	717	685	40.79
10	A	497	475	1.54
11	A	294	281	33.26
12	A	186	177	99.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.133	0.268	0.097
O2	0.067	-0.568	-0.065
O3	-1.127	0.229	-0.082
H4	1.037	1.263	-0.309
H5	2.061	-0.283	0.068
H6	-1.416	0.130	0.833

	C1	O2	O3	H4	H5	H6
C1		1.3648	2.2671	1.0796	1.0795	2.6567
O2	1.3648		1.4349	2.0870	2.0197	1.8685
O3	2.2671	1.4349		2.4087	3.2322	0.9639
H4	1.0796	2.0870	2.4087		1.8928	2.9330
H5	1.0795	2.0197	3.2322	1.8928		3.5842
H6	2.6567	1.8685	0.9639	2.9330	3.5842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.120	O2	C1	H4	116.775
O2	C1	H5	110.897	O2	O3	H6	100.481
H4	C1	H5	122.488

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

using model chemistry: QCISD/cc-pVTZ

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-pVTZ

States and conformations

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