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	hartrees
Energy at 0K	-64.650799
Energy at 298.15K	-64.652118
HF Energy	-64.650799
Nuclear repulsion energy	23.754376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3185	9.62
2	A₁	2870	2870	25.53
3	A₁	1521	1521	75.36
4	A₁	1320	1320	7.87
5	B₁	826	826	154.75
6	B₁	698	698	3.77
7	B₂	3273	3273	0.46
8	B₂	930	930	64.40
9	B₂	490	490	5.66

Atom	y (Å)	z (Å)
C1	0.000	0.598
B2	0.000	-0.796
H3	0.918	1.183
H4	-0.918	1.183
H5	0.000	-1.970

	C1	B2	H3	H4	H5
C1		1.3936	1.0882	1.0882	2.5673
B2	1.3936		2.1811	2.1811	1.1737
H3	1.0882	2.1811		1.8351	3.2832
H4	1.0882	2.1811	1.8351		3.2832
H5	2.5673	1.1737	3.2832	3.2832

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.524
B2	C1	H4	122.524		H4	C1	H3	114.952

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/LANL2DZ

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	-0.586
2	B	0.007
3	H	0.223
4	H	0.223
5	H	0.134

	x	y	z	Total
	0.000	0.000	-0.502	0.502
CHELPG
AIM
ESP

<r²>	21.713
(<r²>)^1/2	4.660

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)