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	hartrees
Energy at 0K	-140.050066
Energy at 298.15K	-140.052243
HF Energy	-140.050066
Nuclear repulsion energy	55.079713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3685	137.64
2	A'	3152	3054	7.90
3	A'	1792	1736	404.39
4	A'	1361	1319	3.49
5	A'	989	958	162.69
6	A'	946	917	17.22
7	A'	655	634	78.65
8	A'	366	354	14.80
9	A"	3221	3121	0.25
10	A"	791	766	33.89
11	A"	590	571	82.29
12	A"	331	321	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.386	0.000
B2	0.039	0.004	0.000
O3	0.039	-1.313	0.000
H4	0.039	1.958	0.917
H5	0.039	1.958	-0.917
H6	-0.822	-1.743	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3824	2.6993	1.0809	1.0809	3.2454
B2	1.3824		1.3169	2.1592	2.1592	1.9474
O3	2.6993	1.3169		3.3978	3.3978	0.9623
H4	1.0809	2.1592	3.3978		1.8338	3.9093
H5	1.0809	2.1592	3.3978	1.8338		3.9093
H6	3.2454	1.9474	0.9623	3.9093	3.9093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.975
B2	C1	H5	121.975	B2	O3	H6	116.522
H4	C1	H5	116.050

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.961
2	B	0.845
3	O	-0.904
4	H	0.343
5	H	0.343
6	H	0.335

	x	y	z	Total
	-1.460	-1.819	0.000	2.332
CHELPG
AIM
ESP

	x	y	z
x	4.970	0.163	0.000
y	0.163	6.941	0.000
z	0.000	0.000	4.091

<r²>	49.690
(<r²>)^1/2	7.049

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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