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	hartrees
Energy at 0K	-114.473950
Energy at 298.15K	-114.476535
HF Energy	-114.473950
Nuclear repulsion energy	35.704631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4179	3797	87.48
2	A	3385	3076	19.35
3	A	3251	2954	29.76
4	A	1604	1457	15.34
5	A	1463	1329	47.27
6	A	1274	1157	136.03
7	A	1142	1037	46.07
8	A	763	693	39.58
9	A	401	365	102.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	0.029	-0.075
O2	-0.662	-0.122	0.028
H3	1.225	-0.873	0.110
H4	1.104	0.975	0.204
H5	-1.101	0.699	-0.089

	C1	O2	H3	H4	H5
C1		1.3524	1.0705	1.0745	1.9016
O2	1.3524		2.0322	2.0861	0.9386
H3	1.0705	2.0322		1.8542	2.8144
H4	1.0745	2.0861	1.8542		2.2417
H5	1.9016	0.9386	2.8144	2.2417

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.909		O2	C1	H3	113.505
O2	C1	H4	118.084		H3	C1	H4	119.638

All results from a given calculation for CH₂OH (Hydroxymethyl radical)

using model chemistry: HF/aug-cc-pVQZ

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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Number	Element	Mulliken
1	C	-0.419
2	O	-0.623
3	H	0.383
4	H	0.335
5	H	0.324

	x	y	z	Total
	0.212	1.494	0.174	1.519
CHELPG
AIM
ESP

	x	y	z
x	3.087	-0.064	-0.011
y	-0.064	2.677	-0.006
z	-0.011	-0.006	2.482

<r²>	20.315
(<r²>)^1/2	4.507

All results from a given calculation for CH2OH (Hydroxymethyl radical)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂OH (Hydroxymethyl radical)