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	hartrees
Energy at 0K	-139.972742
Energy at 298.15K	-139.974938
HF Energy	-139.972742
Nuclear repulsion energy	55.126134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3874	3706	140.85
2	A'	3180	3042	7.69
3	A'	1827	1748	365.62
4	A'	1355	1296	5.94
5	A'	1018	974	166.89
6	A'	954	913	10.57
7	A'	647	619	95.94
8	A'	372	356	16.42
9	A"	3259	3118	0.25
10	A"	788	754	53.59
11	A"	614	587	87.23
12	A"	328	314	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.384	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.314	0.000
H4	0.040	1.955	0.920
H5	0.040	1.955	-0.920
H6	-0.833	-1.715	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3820	2.6977	1.0829	1.0829	3.2195
B2	1.3820		1.3157	2.1590	2.1590	1.9261
O3	2.6977	1.3157		3.3959	3.3959	0.9606
H4	1.0829	2.1590	3.3959		1.8400	3.8830
H5	1.0829	2.1590	3.3959	1.8400		3.8830
H6	3.2195	1.9261	0.9606	3.8830	3.8830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.834
B2	C1	H5	121.834	B2	O3	H6	114.687
H4	C1	H5	116.333

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

using model chemistry: mPW1PW91/6-311G**

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	-0.608
2	B	0.345
3	O	-0.285
4	H	0.132
5	H	0.132
6	H	0.285

	x	y	z	Total
	-1.631	-1.767	0.000	2.405
CHELPG
AIM
ESP

	x	y	z
x	3.045	0.177	0.000
y	0.177	6.091	0.000
z	0.000	0.000	2.882

<r²>	49.203
(<r²>)^1/2	7.014

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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