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	hartrees
Energy at 0K	-139.258961
Energy at 298.15K	-139.261056
HF Energy	-139.258961
Nuclear repulsion energy	55.026410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3705	3662	142.59
2	A'	3102	3066	18.79
3	A'	1817	1796	368.70
4	A'	1278	1264	11.06
5	A'	948	937	33.78
6	A'	913	902	137.43
7	A'	611	603	109.35
8	A'	360	356	18.39
9	A"	3180	3143	5.36
10	A"	747	738	62.82
11	A"	595	588	92.17
12	A"	314	311	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.383	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.311	0.000
H4	0.040	1.963	0.925
H5	0.040	1.963	-0.925
H6	-0.833	-1.743	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3811	2.6944	1.0914	1.0914	3.2454
B2	1.3811		1.3133	2.1677	2.1677	1.9509
O3	2.6944	1.3133		3.4019	3.4019	0.9738
H4	1.0914	2.1677	3.4019		1.8498	3.9174
H5	1.0914	2.1677	3.4019	1.8498		3.9174
H6	3.2454	1.9509	0.9738	3.9174	3.9174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.068
B2	C1	H5	122.068	B2	O3	H6	116.296
H4	C1	H5	115.865

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

using model chemistry: LSDA/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	-0.643
2	B	0.383
3	O	-0.401
4	H	0.167
5	H	0.167
6	H	0.327

	x	y	z	Total
	-1.677	-1.763	0.000	2.434
CHELPG
AIM
ESP

	x	y	z
x	3.893	0.170	0.000
y	0.170	6.785	0.000
z	0.000	0.000	3.119

<r²>	49.528
(<r²>)^1/2	7.038

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

using model chemistry: LSDA/TZVP

States and conformations

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