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	hartrees
Energy at 0K	-139.917456
Energy at 298.15K	-139.919593
HF Energy	-139.917456
Nuclear repulsion energy	54.906211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3679	145.08
2	A'	3195	3071	8.83
3	A'	1826	1756	351.44
4	A'	1317	1266	3.53
5	A'	1022	983	151.39
6	A'	949	912	11.36
7	A'	617	593	75.25
8	A'	359	345	14.41
9	A"	3286	3159	0.89
10	A"	773	743	43.42
11	A"	615	591	77.69
12	A"	310	298	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.389	0.000
B2	0.040	0.001	0.000
O3	0.040	-1.319	0.000
H4	0.040	1.960	0.928
H5	0.040	1.960	-0.928
H6	-0.845	-1.705	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3879	2.7082	1.0898	1.0898	3.2179
B2	1.3879		1.3203	2.1678	2.1678	1.9219
O3	2.7082	1.3203		3.4081	3.4081	0.9658
H4	1.0898	2.1678	3.4081		1.8563	3.8828
H5	1.0898	2.1678	3.4081	1.8563		3.8828
H6	3.2179	1.9219	0.9658	3.8828	3.8828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.605
B2	C1	H5	121.605	B2	O3	H6	113.521
H4	C1	H5	116.790

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

using model chemistry: B1B95/cc-pVDZ

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	-0.209
2	B	-0.032
3	O	-0.043
4	H	0.050
5	H	0.050
6	H	0.185

	x	y	z	Total
	-1.597	-1.757	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	2.959	0.202	0.000
y	0.202	5.954	0.000
z	0.000	0.000	2.891

<r²>	49.331
(<r²>)^1/2	7.024

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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