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	hartrees
Energy at 0K	-139.988407
Energy at 298.15K	-139.990597
HF Energy	-139.988407
Nuclear repulsion energy	55.117735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3865	3707	143.74
2	A'	3180	3051	8.95
3	A'	1818	1744	377.01
4	A'	1354	1299	5.06
5	A'	1001	960	163.20
6	A'	955	916	13.34
7	A'	648	621	82.03
8	A'	374	358	15.27
9	A"	3257	3124	0.53
10	A"	784	752	41.86
11	A"	600	576	80.81
12	A"	328	315	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.385	0.000
B2	0.039	0.003	0.000
O3	0.039	-1.314	0.000
H4	0.039	1.956	0.918
H5	0.039	1.956	-0.918
H6	-0.828	-1.725	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3823	2.6987	1.0811	1.0811	3.2285
B2	1.3823		1.3164	2.1580	2.1580	1.9331
O3	2.6987	1.3164		3.3958	3.3958	0.9600
H4	1.0811	2.1580	3.3958		1.8367	3.8911
H5	1.0811	2.1580	3.3958	1.8367		3.8911
H6	3.2285	1.9331	0.9600	3.8911	3.8911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.852
B2	C1	H5	121.852	B2	O3	H6	115.356
H4	C1	H5	116.296

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

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.407
2	B	0.108
3	O	-0.180
4	H	0.124
5	H	0.124
6	H	0.232

	x	y	z	Total
	-1.519	-1.783	0.000	2.342
CHELPG
AIM
ESP

	x	y	z
x	3.881	0.163	0.000
y	0.163	6.351	0.000
z	0.000	0.000	3.384

<r²>	49.330
(<r²>)^1/2	7.024

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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