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	hartrees
Energy at 0K	-139.930819
Energy at 298.15K	-139.932988
HF Energy	-139.930819
Nuclear repulsion energy	54.935688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3855	3692	147.73
2	A'	3194	3060	9.57
3	A'	1814	1737	401.73
4	A'	1329	1273	3.75
5	A'	1014	972	156.71
6	A'	945	905	11.22
7	A'	645	618	80.69
8	A'	370	354	15.11
9	A"	3282	3144	0.39
10	A"	771	739	33.77
11	A"	595	570	79.95
12	A"	321	307	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.389	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.318	0.000
H4	0.040	1.961	0.924
H5	0.040	1.961	-0.924
H6	-0.834	-1.722	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3859	2.7071	1.0871	1.0871	3.2311
B2	1.3859		1.3212	2.1655	2.1655	1.9335
O3	2.7071	1.3212		3.4073	3.4073	0.9627
H4	1.0871	2.1655	3.4073		1.8482	3.8965
H5	1.0871	2.1655	3.4073	1.8482		3.8965
H6	3.2311	1.9335	0.9627	3.8965	3.8965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.779
B2	C1	H5	121.779	B2	O3	H6	114.781
H4	C1	H5	116.442

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

using model chemistry: B1B95/aug-cc-pVDZ

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	0.677
2	B	0.059
3	O	-0.189
4	H	-0.371
5	H	-0.371
6	H	0.196

	x	y	z	Total
	-1.476	-1.759	0.000	2.296
CHELPG
AIM
ESP

	x	y	z
x	4.771	0.161	0.000
y	0.161	6.823	0.000
z	0.000	0.000	3.920

<r²>	49.759
(<r²>)^1/2	7.054

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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