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	hartrees
Energy at 0K	-139.969858
Energy at 298.15K	-139.972035
HF Energy	-139.969858
Nuclear repulsion energy	54.985039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3831	3694	141.75
2	A'	3167	3054	9.00
3	A'	1808	1743	395.87
4	A'	1351	1303	5.13
5	A'	975	941	170.41
6	A'	948	914	4.67
7	A'	653	629	100.99
8	A'	368	355	17.28
9	A"	3244	3128	0.76
10	A"	788	760	57.35
11	A"	595	574	96.82
12	A"	330	318	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.388	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.317	0.000
H4	0.040	1.961	0.919
H5	0.040	1.961	-0.919
H6	-0.830	-1.731	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3848	2.7046	1.0836	1.0836	3.2375
B2	1.3848		1.3198	2.1633	2.1633	1.9397
O3	2.7046	1.3198		3.4046	3.4046	0.9633
H4	1.0836	2.1633	3.4046		1.8388	3.9029
H5	1.0836	2.1633	3.4046	1.8388		3.9029
H6	3.2375	1.9397	0.9633	3.9029	3.9029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.952
B2	C1	H5	121.952	B2	O3	H6	115.444
H4	C1	H5	116.095

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

using model chemistry: B3PW91/TZVP

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	-0.569
2	B	0.380
3	O	-0.413
4	H	0.143
5	H	0.143
6	H	0.314

	x	y	z	Total
	-1.641	-1.734	0.000	2.388
CHELPG
AIM
ESP

	x	y	z
x	3.826	0.163	0.000
y	0.163	6.527	0.000
z	0.000	0.000	2.995

<r²>	49.620
(<r²>)^1/2	7.044

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

using model chemistry: B3PW91/TZVP

States and conformations

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