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	hartrees
Energy at 0K	-138.107523
Energy at 298.15K	-138.109810
HF Energy	-138.107523
Nuclear repulsion energy	55.045973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3861	3861	0.81
2	A'	3467	3467	51.19
3	A'	2060	2060	175.00
4	A'	1566	1566	1.09
5	A'	1221	1221	107.05
6	A'	1030	1030	21.80
7	A'	872	872	43.46
8	A'	393	393	14.38
9	A"	3594	3594	5.68
10	A"	899	899	54.17
11	A"	812	812	53.36
12	A"	346	346	3.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	1.370	0.000
B2	0.043	0.011	0.000
O3	0.043	-1.313	0.000
H4	0.043	1.958	0.914
H5	0.043	1.958	-0.914
H6	-0.894	-1.691	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3581	2.6821	1.0876	1.0876	3.2008
B2	1.3581		1.3240	2.1509	2.1509	1.9432
O3	2.6821	1.3240		3.3963	3.3963	1.0102
H4	1.0876	2.1509	3.3963		1.8289	3.8771
H5	1.0876	2.1509	3.3963	1.8289		3.8771
H6	3.2008	1.9432	1.0102	3.8771	3.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.777
B2	C1	H5	122.777	B2	O3	H6	112.012
H4	C1	H5	114.446

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

using model chemistry: M06-2X/STO-3G

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	-0.353
2	B	0.270
3	O	-0.281
4	H	0.062
5	H	0.062
6	H	0.240

	x	y	z	Total
	-1.483	-1.704	0.000	2.259
CHELPG
AIM
ESP

	x	y	z
x	0.850	0.443	0.000
y	0.443	4.115	0.000
z	0.000	0.000	1.258

<r²>	47.834
(<r²>)^1/2	6.916

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

using model chemistry: M06-2X/STO-3G

States and conformations

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