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	hartrees
Energy at 0K	-190.206694
Energy at 298.15K	-190.209711
HF Energy	-190.206694
Nuclear repulsion energy	74.456741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3570	22.19
2	A	3254	3140	8.60
3	A	3111	3002	9.54
4	A	1436	1386	2.70
5	A	1371	1323	38.14
6	A	1198	1156	20.66
7	A	1133	1094	11.96
8	A	861	831	8.82
9	A	733	707	37.54
10	A	470	453	1.82
11	A	270	260	28.92
12	A	148	143	99.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.146	0.259	0.111
O2	0.062	-0.556	-0.068
O3	-1.127	0.236	-0.081
H4	1.063	1.268	-0.284
H5	2.064	-0.312	0.015
H6	-1.488	0.055	0.800

	C1	O2	O3	H4	H5	H6
C1		1.3672	2.2803	1.0867	1.0856	2.7296
O2	1.3672		1.4283	2.0917	2.0186	1.8787
O3	2.2803	1.4283		2.4295	3.2389	0.9696
H4	1.0867	2.0917	2.4295		1.8938	3.0255
H5	1.0856	2.0186	3.2389	1.8938		3.6561
H6	2.7296	1.8787	0.9696	3.0255	3.6561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.296	O2	C1	H4	116.490
O2	C1	H5	110.241	O2	O3	H6	101.436
H4	C1	H5	121.333

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

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

States and conformations

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