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	hartrees
Energy at 0K	-139.936488
Energy at 298.15K	-139.938668
HF Energy	-139.757399
Nuclear repulsion energy	55.022237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3674	156.23
2	A'	3178	3049	8.56
3	A'	1794	1722	397.87
4	A'	1368	1313	3.05
5	A'	992	952	161.53
6	A'	945	907	17.01
7	A'	650	624	77.03
8	A'	367	352	15.31
9	A"	3249	3117	0.35
10	A"	789	757	32.66
11	A"	595	571	82.68
12	A"	327	314	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.389	0.000
B2	0.039	0.004	0.000
O3	0.039	-1.316	0.000
H4	0.039	1.957	0.917
H5	0.039	1.957	-0.917
H6	-0.826	-1.736	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3849	2.7047	1.0793	1.0793	3.2418
B2	1.3849		1.3198	2.1582	2.1582	1.9427
O3	2.7047	1.3198		3.3994	3.3994	0.9618
H4	1.0793	2.1582	3.3994		1.8347	3.9022
H5	1.0793	2.1582	3.3994	1.8347		3.9022
H6	3.2418	1.9427	0.9618	3.9022	3.9022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.791
B2	C1	H5	121.791	B2	O3	H6	115.861
H4	C1	H5	116.418

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

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for CH2BOH (hydroxy(methylene)borane)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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