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	hartrees
Energy at 0K	-139.898254
Energy at 298.15K	-139.900398
HF Energy	-139.898254
Nuclear repulsion energy	54.940036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3801	3608	110.67
2	A'	3206	3044	5.50
3	A'	1832	1739	335.72
4	A'	1379	1309	2.34
5	A'	1014	963	182.54
6	A'	953	905	5.01
7	A'	640	608	96.34
8	A'	351	333	17.92
9	A"	3283	3117	0.01
10	A"	791	751	56.39
11	A"	623	592	87.70
12	A"	320	304	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.388	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.319	0.000
H4	0.040	1.961	0.920
H5	0.040	1.961	-0.920
H6	-0.844	-1.710	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3859	2.7077	1.0838	1.0838	3.2216
B2	1.3859		1.3218	2.1640	2.1640	1.9268
O3	2.7077	1.3218		3.4070	3.4070	0.9661
H4	1.0838	2.1640	3.4070		1.8401	3.8862
H5	1.0838	2.1640	3.4070	1.8401		3.8862
H6	3.2216	1.9268	0.9661	3.8862	3.8862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.905
B2	C1	H5	121.905	B2	O3	H6	113.832
H4	C1	H5	116.190

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

using model chemistry: B1B95/6-31G*

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	-0.539
2	B	0.257
3	O	-0.507
4	H	0.171
5	H	0.171
6	H	0.447

	x	y	z	Total
	-1.681	-1.624	0.000	2.338
CHELPG
AIM
ESP

	x	y	z
x	2.314	0.219	0.000
y	0.219	5.788	0.000
z	0.000	0.000	2.631

<r²>	49.141
(<r²>)^1/2	7.010

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

using model chemistry: B1B95/6-31G*

States and conformations

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