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	hartrees
Energy at 0K	-63.750279
Energy at 298.15K	-63.751520
HF Energy	-63.715111
Nuclear repulsion energy	24.070059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3421	52.77
2	A₁	3209	3209	8.60
3	A₁	1683	1683	40.75
4	A₁	1449	1449	0.81
5	B₁	862	862	31.50
6	B₁	721	721	9.02
7	B₂	3539	3539	12.00
8	B₂	1000	1000	89.41
9	B₂	492	492	1.26

Atom	y (Å)	z (Å)
C1	0.000	0.581
B2	0.000	-0.780
H3	0.919	1.176
H4	-0.919	1.176
H5	0.000	-1.939

	C1	B2	H3	H4	H5
C1		1.3611	1.0947	1.0947	2.5202
B2	1.3611		2.1609	2.1609	1.1591
H3	1.0947	2.1609		1.8381	3.2476
H4	1.0947	2.1609	1.8381		3.2476
H5	2.5202	1.1591	3.2476	3.2476

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.907
B2	C1	H4	122.907		H4	C1	H3	114.187

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/STO-3G

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	-0.331
2	B	0.196
3	H	0.081
4	H	0.081
5	H	-0.027

	x	y	z	Total
	0.000	0.000	-0.260	0.260
CHELPG
AIM
ESP

<r²>	20.533
(<r²>)^1/2	4.531

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)