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	hartrees
Energy at 0K	-64.583526
Energy at 298.15K	-64.584711
HF Energy	-64.583526
Nuclear repulsion energy	23.853627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3026	10.32
2	A₁	2861	2719	23.82
3	A₁	1537	1460	52.50
4	A₁	1293	1228	5.37
5	B₁	733	697	81.26
6	B₁	634	602	12.91
7	B₂	3254	3093	1.08
8	B₂	920	875	51.46
9	B₂	417	396	4.33

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.789
H3	0.919	1.177
H4	-0.919	1.177
H5	0.000	-1.968

	C1	B2	H3	H4	H5
C1		1.3820	1.0885	1.0885	2.5613
B2	1.3820		2.1700	2.1700	1.1793
H3	1.0885	2.1700		1.8372	3.2767
H4	1.0885	2.1700	1.8372		3.2767
H5	2.5613	1.1793	3.2767	3.2767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.445
B2	C1	H4	122.445		H4	C1	H3	115.109

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBE1PBE/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	-0.573
2	B	0.129
3	H	0.193
4	H	0.193
5	H	0.058

	x	y	z	Total
	0.000	0.000	-0.446	0.446
CHELPG
AIM
ESP

<r²>	21.406
(<r²>)^1/2	4.627

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)