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	hartrees
Energy at 0K	-139.988267
Energy at 298.15K	-139.990452
HF Energy	-139.988267
Nuclear repulsion energy	55.040439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3675	106.86
2	A'	3167	3057	6.34
3	A'	1829	1765	313.84
4	A'	1360	1313	3.83
5	A'	1004	969	152.35
6	A'	955	921	17.24
7	A'	646	624	76.63
8	A'	365	352	15.28
9	A"	3239	3125	0.00
10	A"	794	766	38.29
11	A"	617	595	78.54
12	A"	330	318	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.385	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.962	0.918
H5	0.040	1.962	-0.918
H6	-0.832	-1.727	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3828	2.7007	1.0838	1.0838	3.2318
B2	1.3828		1.3180	2.1633	2.1633	1.9366
O3	2.7007	1.3180		3.4030	3.4030	0.9638
H4	1.0838	2.1633	3.4030		1.8361	3.8994
H5	1.0838	2.1633	3.4030	1.8361		3.8994
H6	3.2318	1.9366	0.9638	3.8994	3.8994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.109
B2	C1	H5	122.109	B2	O3	H6	115.265
H4	C1	H5	115.783

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.519
2	B	0.153
3	O	-0.197
4	H	0.118
5	H	0.118
6	H	0.327

	x	y	z	Total
	-1.511	-1.735	0.000	2.301
CHELPG
AIM
ESP

	x	y	z
x	2.848	0.222	0.000
y	0.222	5.984	0.000
z	0.000	0.000	2.981

<r²>	49.110
(<r²>)^1/2	7.008

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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