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	hartrees
Energy at 0K	-186.837129
Energy at 298.15K	-186.840144
HF Energy	-186.712388
Nuclear repulsion energy	73.181613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3813	3390	25.02
2	A	3602	3202	1.23
3	A	3415	3036	1.17
4	A	1630	1449	36.07
5	A	1566	1392	8.35
6	A	1357	1206	15.83
7	A	1236	1099	13.10
8	A	1094	972	9.25
9	A	890	792	10.64
10	A	488	434	1.63
11	A	294	261	7.10
12	A	145	129	71.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.177	0.241	-0.097
O2	-0.034	-0.591	0.031
O3	1.086	0.337	-0.016
H4	-1.089	1.266	0.302
H5	-2.099	-0.317	0.129
H6	1.831	-0.368	0.031

	C1	O2	O3	H4	H5	H6
C1		1.4194	2.2663	1.1034	1.1017	3.0710
O2	1.4194		1.4558	2.1532	2.0854	1.8780
O3	2.2663	1.4558		2.3865	3.2549	1.0266
H4	1.1034	2.1532	2.3865		1.8858	3.3570
H5	1.1017	2.0854	3.2549	1.8858		3.9312
H6	3.0710	1.8780	1.0266	3.3570	3.9312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	104.029	O2	C1	H4	116.632
O2	C1	H5	110.986	O2	O3	H6	96.793
H4	C1	H5	117.564

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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