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	hartrees
Energy at 0K	-140.030500
Energy at 298.15K	-140.032672
HF Energy	-140.030500
Nuclear repulsion energy	54.906090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3655	116.76
2	A'	3152	3052	5.51
3	A'	1792	1735	347.08
4	A'	1366	1322	3.95
5	A'	1000	969	151.29
6	A'	940	910	18.26
7	A'	643	622	74.91
8	A'	357	346	14.48
9	A"	3224	3122	0.02
10	A"	789	764	34.87
11	A"	611	591	79.18
12	A"	325	315	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.390	0.000
B2	0.040	0.004	0.000
O3	0.040	-1.319	0.000
H4	0.040	1.963	0.919
H5	0.040	1.963	-0.919
H6	-0.834	-1.730	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3862	2.7091	1.0830	1.0830	3.2403
B2	1.3862		1.3228	2.1645	2.1645	1.9418
O3	2.7091	1.3228		3.4088	3.4088	0.9658
H4	1.0830	2.1645	3.4088		1.8373	3.9054
H5	1.0830	2.1645	3.4088	1.8373		3.9054
H6	3.2403	1.9418	0.9658	3.9054	3.9054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.980
B2	C1	H5	121.980	B2	O3	H6	115.196
H4	C1	H5	116.039

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

using model chemistry: TPSSh/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	-0.384
2	B	0.118
3	O	-0.207
4	H	0.115
5	H	0.115
6	H	0.244

	x	y	z	Total
	-1.511	-1.759	0.000	2.319
CHELPG
AIM
ESP

	x	y	z
x	3.930	0.174	0.000
y	0.174	6.510	0.000
z	0.000	0.000	3.438

<r²>	49.646
(<r²>)^1/2	7.046

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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