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	hartrees
Energy at 0K	-139.957251
Energy at 298.15K	-139.959434
HF Energy	-139.957251
Nuclear repulsion energy	55.048182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3699	133.27
2	A'	3162	3046	7.45
3	A'	1816	1749	356.54
4	A'	1348	1298	6.24
5	A'	1012	975	163.56
6	A'	948	913	11.70
7	A'	640	617	95.26
8	A'	368	355	16.27
9	A"	3240	3120	0.21
10	A"	785	756	52.33
11	A"	612	590	86.58
12	A"	327	315	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.386	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.958	0.921
H5	0.040	1.958	-0.921
H6	-0.835	-1.718	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3833	2.7011	1.0843	1.0843	3.2249
B2	1.3833		1.3178	2.1619	2.1619	1.9302
O3	2.7011	1.3178		3.4008	3.4008	0.9628
H4	1.0843	2.1619	3.4008		1.8415	3.8898
H5	1.0843	2.1619	3.4008	1.8415		3.8898
H6	3.2249	1.9302	0.9628	3.8898	3.8898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.879
B2	C1	H5	121.879	B2	O3	H6	114.743
H4	C1	H5	116.242

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)

using model chemistry: B3PW91/6-311G**

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	-0.606
2	B	0.340
3	O	-0.283
4	H	0.132
5	H	0.132
6	H	0.285

	x	y	z	Total
	-1.629	-1.763	0.000	2.400
CHELPG
AIM
ESP

	x	y	z
x	3.052	0.180	0.000
y	0.180	6.144	0.000
z	0.000	0.000	2.897

<r²>	49.309
(<r²>)^1/2	7.022

All results from a given calculation for CH2BOH (hydroxy(methylene)borane)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)