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	hartrees
Energy at 0K	-189.607257
Energy at 298.15K	-189.610514
HF Energy	-189.164841
Nuclear repulsion energy	74.937023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3843	3558	44.50
2	A	3388	3136	7.65
3	A	3249	3008	11.84
4	A	1516	1404	11.80
5	A	1467	1358	53.93
6	A	1258	1165	33.91
7	A	1226	1135	19.19
8	A	960	889	11.26
9	A	826	764	32.10
10	A	508	470	1.85
11	A	303	280	40.60
12	A	216	200	125.89

Atom	x (Å)	y (Å)	z (Å)
C1	1.138	0.263	0.111
O2	0.063	-0.564	-0.072
O3	-1.120	0.241	-0.078
H4	1.051	1.259	-0.298
H5	2.058	-0.297	0.035
H6	-1.475	0.044	0.801

	C1	O2	O3	H4	H5	H6
C1		1.3683	2.2659	1.0801	1.0801	2.7109
O2	1.3683		1.4307	2.0857	2.0157	1.8697
O3	2.2659	1.4307		2.4085	3.2254	0.9681
H4	1.0801	2.0857	2.4085		1.8830	3.0109
H5	1.0801	2.0157	3.2254	1.8830		3.6309
H6	2.7109	1.8697	0.9681	3.0109	3.6309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.084	O2	C1	H4	116.338
O2	C1	H5	110.276	O2	O3	H6	100.650
H4	C1	H5	121.312

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

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

States and conformations

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