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	hartrees
Energy at 0K	-64.288082
Energy at 298.15K	-64.289373
HF Energy	-64.288082
Nuclear repulsion energy	23.683679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	3037	10.89
2	A₁	2814	2799	14.63
3	A₁	1489	1481	45.98
4	A₁	1302	1294	8.27
5	B₁	758	754	99.69
6	B₁	673	670	2.44
7	B₂	3103	3086	0.36
8	B₂	954	949	49.95
9	B₂	485	482	7.29

Atom	y (Å)	z (Å)
C1	0.000	0.595
B2	0.000	-0.796
H3	0.920	1.194
H4	-0.920	1.194
H5	0.000	-1.978

	C1	B2	H3	H4	H5
C1		1.3918	1.0978	1.0978	2.5738
B2	1.3918		2.1931	2.1931	1.1819
H3	1.0978	2.1931		1.8400	3.3034
H4	1.0978	2.1931	1.8400		3.3034
H5	2.5738	1.1819	3.3034	3.3034

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.066
B2	C1	H4	123.066		H4	C1	H3	113.868

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: BLYP/3-21G

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	-0.755
2	B	0.300
3	H	0.184
4	H	0.184
5	H	0.087

	x	y	z	Total
	0.000	0.000	-0.171	0.171
CHELPG
AIM
ESP

<r²>	21.829
(<r²>)^1/2	4.672

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)