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	hartrees
Energy at 0K	-139.972747
Energy at 298.15K	-139.974924
HF Energy	-139.972747
Nuclear repulsion energy	55.041909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3832	3685	136.33
2	A'	3164	3042	8.57
3	A'	1808	1738	368.97
4	A'	1347	1296	5.24
5	A'	996	957	159.47
6	A'	949	913	14.93
7	A'	642	617	81.40
8	A'	369	355	15.08
9	A"	3239	3115	0.47
10	A"	781	751	40.75
11	A"	599	576	80.15
12	A"	327	315	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.387	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.959	0.919
H5	0.040	1.959	-0.919
H6	-0.830	-1.728	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3836	2.7020	1.0825	1.0825	3.2336
B2	1.3836		1.3184	2.1608	2.1608	1.9370
O3	2.7020	1.3184		3.4005	3.4005	0.9622
H4	1.0825	2.1608	3.4005		1.8380	3.8976
H5	1.0825	2.1608	3.4005	1.8380		3.8976
H6	3.2336	1.9370	0.9622	3.8976	3.8976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.900
B2	C1	H5	121.900	B2	O3	H6	115.394
H4	C1	H5	116.199

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

using model chemistry: B3PW91/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	-0.425
2	B	0.116
3	O	-0.185
4	H	0.130
5	H	0.130
6	H	0.235

	x	y	z	Total
	-1.517	-1.779	0.000	2.338
CHELPG
AIM
ESP

	x	y	z
x	3.895	0.164	0.000
y	0.164	6.415	0.000
z	0.000	0.000	3.404

<r²>	49.435
(<r²>)^1/2	7.031

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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