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	hartrees
Energy at 0K	-139.843321
Energy at 298.15K	-139.845511
HF Energy	-139.843321
Nuclear repulsion energy	55.094376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3713	142.69
2	A'	3177	3048	8.51
3	A'	1827	1753	362.84
4	A'	1348	1294	6.31
5	A'	1017	976	165.47
6	A'	954	915	10.47
7	A'	643	617	96.06
8	A'	372	357	16.46
9	A"	3257	3124	0.40
10	A"	784	752	53.58
11	A"	614	589	86.30
12	A"	326	313	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.385	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.314	0.000
H4	0.040	1.956	0.921
H5	0.040	1.956	-0.921
H6	-0.835	-1.713	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3829	2.6991	1.0842	1.0842	3.2191
B2	1.3829		1.3161	2.1607	2.1607	1.9253
O3	2.6991	1.3161		3.3979	3.3979	0.9615
H4	1.0842	2.1607	3.3979		1.8426	3.8832
H5	1.0842	2.1607	3.3979	1.8426		3.8832
H6	3.2191	1.9253	0.9615	3.8832	3.8832

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	114.510
H4	C1	H5	116.370

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

using model chemistry: PBE1PBE/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	-0.604
2	B	0.334
3	O	-0.278
4	H	0.133
5	H	0.133
6	H	0.283

	x	y	z	Total
	-1.632	-1.766	0.000	2.404
CHELPG
AIM
ESP

	x	y	z
x	3.050	0.177	0.000
y	0.177	6.099	0.000
z	0.000	0.000	2.894

<r²>	49.258
(<r²>)^1/2	7.018

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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