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	hartrees
Energy at 0K	-139.949576
Energy at 298.15K	-139.951761
HF Energy	-139.949576
Nuclear repulsion energy	55.181424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3717	141.65
2	A'	3181	3055	7.81
3	A'	1830	1757	367.06
4	A'	1351	1297	5.26
5	A'	1013	972	168.10
6	A'	955	917	9.21
7	A'	640	614	93.53
8	A'	370	355	16.53
9	A"	3261	3131	0.11
10	A"	783	752	52.69
11	A"	618	593	86.18
12	A"	324	311	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.382	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.312	0.000
H4	0.040	1.953	0.919
H5	0.040	1.953	-0.919
H6	-0.833	-1.714	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3799	2.6948	1.0814	1.0814	3.2169
B2	1.3799		1.3150	2.1557	2.1557	1.9254
O3	2.6948	1.3150		3.3918	3.3918	0.9602
H4	1.0814	2.1557	3.3918		1.8379	3.8792
H5	1.0814	2.1557	3.3918	1.8379		3.8792
H6	3.2169	1.9254	0.9602	3.8792	3.8792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.815
B2	C1	H5	121.815	B2	O3	H6	114.721
H4	C1	H5	116.370

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

using model chemistry: B1B95/6-311G**

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	-0.591
2	B	0.330
3	O	-0.282
4	H	0.129
5	H	0.129
6	H	0.286

	x	y	z	Total
	-1.628	-1.762	0.000	2.399
CHELPG
AIM
ESP

	x	y	z
x	3.021	0.182	0.000
y	0.182	6.078	0.000
z	0.000	0.000	2.888

<r²>	49.109
(<r²>)^1/2	7.008

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

using model chemistry: B1B95/6-311G**

States and conformations

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