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	hartrees
Energy at 0K	-189.913835
Energy at 298.15K	-189.916967
HF Energy	-189.250542
Nuclear repulsion energy	74.858622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3649	35.36
2	A	3299	3175	1.85
3	A	3158	3039	8.45
4	A	1456	1401	6.35
5	A	1404	1351	44.86
6	A	1215	1169	32.67
7	A	1169	1125	15.92
8	A	900	866	10.13
9	A	708	681	38.39
10	A	495	477	1.46
11	A	287	276	32.27
12	A	183	176	99.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	0.267	0.098
O2	0.068	-0.568	-0.067
O3	-1.127	0.231	-0.081
H4	1.039	1.266	-0.304
H5	2.062	-0.286	0.070
H6	-1.433	0.111	0.827

	C1	O2	O3	H4	H5	H6
C1		1.3654	2.2699	1.0802	1.0801	2.6746
O2	1.3654		1.4373	2.0883	2.0194	1.8743
O3	2.2699	1.4373		2.4115	3.2350	0.9657
H4	1.0802	2.0883	2.4115		1.8957	2.9541
H5	1.0801	2.0194	3.2350	1.8957		3.5987
H6	2.6746	1.8743	0.9657	2.9541	3.5987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.147	O2	C1	H4	116.801
O2	C1	H5	110.797	O2	O3	H6	100.682
H4	C1	H5	122.681

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

using model chemistry: QCISD/aug-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/aug-cc-pVTZ

States and conformations

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