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	hartrees
Energy at 0K	-139.189958
Energy at 298.15K	-139.192325
HF Energy	-139.189958
Nuclear repulsion energy	55.440026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4151	3772	212.23
2	A'	3288	2987	3.31
3	A'	1883	1710	481.80
4	A'	1480	1345	0.76
5	A'	1091	991	206.38
6	A'	990	900	8.19
7	A'	759	690	107.46
8	A'	418	379	17.95
9	A"	3364	3056	0.74
10	A"	859	780	63.19
11	A"	609	553	109.08
12	A"	358	325	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.380	0.000
B2	0.039	0.000	0.000
O3	0.039	-1.307	0.000
H4	0.039	1.945	0.915
H5	0.039	1.945	-0.915
H6	-0.811	-1.717	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3796	2.6871	1.0758	1.0758	3.2115
B2	1.3796		1.3074	2.1494	2.1494	1.9161
O3	2.6871	1.3074		3.3786	3.3786	0.9434
H4	1.0758	2.1494	3.3786		1.8307	3.8693
H5	1.0758	2.1494	3.3786	1.8307		3.8693
H6	3.2115	1.9161	0.9434	3.8693	3.8693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.692
B2	C1	H5	121.692	B2	O3	H6	115.761
H4	C1	H5	116.615

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

using model chemistry: HF/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	-0.600
2	B	0.440
3	O	-0.363
4	H	0.116
5	H	0.116
6	H	0.293

	x	y	z	Total
	-1.671	-1.871	0.000	2.508
CHELPG
AIM
ESP

	x	y	z
x	3.017	0.165	0.000
y	0.165	5.703	0.000
z	0.000	0.000	2.716

<r²>	49.105
(<r²>)^1/2	7.007

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

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

States and conformations

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