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	hartrees
Energy at 0K	-139.146756
Energy at 298.15K	-139.148996
HF Energy	-139.146756
Nuclear repulsion energy	54.323585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3411	69.30
2	A'	3168	3039	6.26
3	A'	1857	1781	244.96
4	A'	1411	1354	13.23
5	A'	979	939	121.41
6	A'	939	901	141.38
7	A'	750	719	133.20
8	A'	353	339	21.94
9	A"	3238	3107	0.01
10	A"	841	806	70.66
11	A"	649	623	111.99
12	A"	329	316	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.402	0.000
B2	0.039	0.013	0.000
O3	0.039	-1.329	0.000
H4	0.039	1.983	0.920
H5	0.039	1.983	-0.920
H6	-0.825	-1.811	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3888	2.7316	1.0878	1.0878	3.3278
B2	1.3888		1.3428	2.1735	2.1735	2.0191
O3	2.7316	1.3428		3.4373	3.4373	0.9896
H4	1.0878	2.1735	3.4373		1.8402	3.9984
H5	1.0878	2.1735	3.4373	1.8402		3.9984
H6	3.3278	2.0191	0.9896	3.9984	3.9984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.239
B2	C1	H5	122.239	B2	O3	H6	119.148
H4	C1	H5	115.522

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

using model chemistry: B3PW91/3-21G*

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	-0.837
2	B	0.574
3	O	-0.562
4	H	0.211
5	H	0.211
6	H	0.403

	x	y	z	Total
	-1.931	-1.735	0.000	2.596
CHELPG
AIM
ESP

	x	y	z
x	2.050	0.308	0.000
y	0.308	5.801	0.000
z	0.000	0.000	2.334

<r²>	50.134
(<r²>)^1/2	7.081

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

using model chemistry: B3PW91/3-21G*

States and conformations

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