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	hartrees
Energy at 0K	-139.927552
Energy at 298.15K	-139.929728
HF Energy	-139.927552
Nuclear repulsion energy	55.036311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3845	3696	119.70
2	A'	3180	3057	7.80
3	A'	1830	1760	318.53
4	A'	1349	1297	4.74
5	A'	1003	964	152.55
6	A'	955	918	16.85
7	A'	637	612	81.20
8	A'	370	355	15.87
9	A"	3258	3132	0.20
10	A"	784	754	41.73
11	A"	613	589	77.87
12	A"	327	315	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.386	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.316	0.000
H4	0.040	1.961	0.919
H5	0.040	1.961	-0.919
H6	-0.834	-1.719	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3841	2.7020	1.0842	1.0842	3.2259
B2	1.3841		1.3179	2.1638	2.1638	1.9303
O3	2.7020	1.3179		3.4033	3.4033	0.9622
H4	1.0842	2.1638	3.4033		1.8387	3.8925
H5	1.0842	2.1638	3.4033	1.8387		3.8925
H6	3.2259	1.9303	0.9622	3.8925	3.8925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.012
B2	C1	H5	122.012	B2	O3	H6	114.781
H4	C1	H5	115.976

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.581
2	B	0.175
3	O	-0.230
4	H	0.146
5	H	0.146
6	H	0.343

	x	y	z	Total
	-1.518	-1.729	0.000	2.300
CHELPG
AIM
ESP

	x	y	z
x	2.868	0.207	0.000
y	0.207	5.969	0.000
z	0.000	0.000	2.997

<r²>	49.043
(<r²>)^1/2	7.003

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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