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	hartrees
Energy at 0K	-138.049645
Energy at 298.15K	-138.051724
HF Energy	-138.049645
Nuclear repulsion energy	54.187745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3199	24.46
2	A'	3279	3034	29.43
3	A'	1927	1782	101.67
4	A'	1512	1399	1.94
5	A'	1149	1063	68.43
6	A'	959	887	14.24
7	A'	751	695	39.20
8	A'	326	301	12.61
9	A"	3397	3143	1.02
10	A"	874	809	33.74
11	A"	739	683	48.05
12	A"	322	298	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	1.390	0.000
B2	0.044	0.010	0.000
O3	0.044	-1.333	0.000
H4	0.044	1.990	0.924
H5	0.044	1.990	-0.924
H6	-0.923	-1.707	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3797	2.7232	1.1019	1.1019	3.2446
B2	1.3797		1.3435	2.1847	2.1847	1.9711
O3	2.7232	1.3435		3.4492	3.4492	1.0371
H4	1.1019	2.1847	3.4492		1.8486	3.9316
H5	1.1019	2.1847	3.4492	1.8486		3.9316
H6	3.2446	1.9711	1.0371	3.9316	3.9316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.983
B2	C1	H5	122.983	B2	O3	H6	111.133
H4	C1	H5	114.035

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

using model chemistry: BLYP/STO-3G

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	-0.336
2	B	0.224
3	O	-0.236
4	H	0.061
5	H	0.061
6	H	0.226

	x	y	z	Total
	-1.396	-1.774	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	0.928	0.478	0.000
y	0.478	4.399	0.000
z	0.000	0.000	1.303

<r²>	48.962
(<r²>)^1/2	6.997

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

using model chemistry: BLYP/STO-3G

States and conformations

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