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	hartrees
Energy at 0K	-189.730913
Energy at 298.15K	-189.734045
HF Energy	-189.195604
Nuclear repulsion energy	74.039067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3736	3736
2	A	3336	3336
3	A	3177	3177
4	A	1437	1437
5	A	1362	1362
6	A	1193	1193
7	A	1134	1134
8	A	832	832
9	A	692	692
10	A	483	483
11	A	296	296
12	A	204	204

Atom	x (Å)	y (Å)	z (Å)
C1	1.138	0.277	0.099
O2	0.078	-0.581	-0.068
O3	-1.140	0.235	-0.081
H4	1.027	1.285	-0.304
H5	2.079	-0.274	0.067
H6	-1.434	0.096	0.837

	C1	O2	O3	H4	H5	H6
C1		1.3741	2.2862	1.0910	1.0908	2.6821
O2	1.3741		1.4658	2.1060	2.0291	1.8873
O3	2.2862	1.4658		2.4183	3.2628	0.9742
H4	1.0910	2.1060	2.4183		1.9172	2.9615
H5	1.0908	2.0291	3.2628	1.9172		3.6151
H6	2.6821	1.8873	0.9742	2.9615	3.6151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.177	O2	C1	H4	116.905
O2	C1	H5	110.287	O2	O3	H6	99.359
H4	C1	H5	122.977

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

using model chemistry: ROMP2/aug-cc-pVDZ

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: ROMP2/aug-cc-pVDZ

States and conformations

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