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	hartrees
Energy at 0K	-139.212234
Energy at 298.15K	-139.214289
HF Energy	-139.212234
Nuclear repulsion energy	54.838507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3674	141.63
2	A'	3115	3068	15.12
3	A'	1812	1785	389.65
4	A'	1283	1263	9.01
5	A'	942	928	33.42
6	A'	912	898	145.40
7	A'	599	590	119.19
8	A'	346	341	18.38
9	A"	3198	3150	3.87
10	A"	744	733	67.37
11	A"	594	585	94.19
12	A"	312	307	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.389	0.000
B2	0.040	0.001	0.000
O3	0.040	-1.316	0.000
H4	0.040	1.968	0.929
H5	0.040	1.968	-0.929
H6	-0.833	-1.751	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3888	2.7051	1.0942	1.0942	3.2597
B2	1.3888		1.3163	2.1756	2.1756	1.9572
O3	2.7051	1.3163		3.4125	3.4125	0.9755
H4	1.0942	2.1756	3.4125		1.8574	3.9315
H5	1.0942	2.1756	3.4125	1.8574		3.9315
H6	3.2597	1.9572	0.9755	3.9315	3.9315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.924
B2	C1	H5	121.924	B2	O3	H6	116.516
H4	C1	H5	116.153

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

using model chemistry: LSDA/6-31+G**

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	-0.579
2	B	0.459
3	O	-0.643
4	H	0.182
5	H	0.182
6	H	0.398

	x	y	z	Total
	-1.683	-1.796	0.000	2.462
CHELPG
AIM
ESP

	x	y	z
x	4.102	0.142	0.000
y	0.142	7.034	0.000
z	0.000	0.000	3.081

<r²>	49.924
(<r²>)^1/2	7.066

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

using model chemistry: LSDA/6-31+G**

States and conformations

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