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	hartrees
Energy at 0K	-64.291414
Energy at 298.15K	-64.292488
HF Energy	-64.291414
Nuclear repulsion energy	23.912512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	3043	29.73
2	A₁	2769	2737	10.91
3	A₁	1501	1483	60.81
4	A₁	1196	1182	23.42
5	B₁	678	670	102.96
6	B₁	619	612	10.60
7	B₂	3145	3108	11.68
8	B₂	875	865	44.43
9	B₂	344	340	8.64

Atom	y (Å)	z (Å)
C1	0.000	0.587
B2	0.000	-0.783
H3	0.920	1.181
H4	-0.920	1.181
H5	0.000	-1.967

	C1	B2	H3	H4	H5
C1		1.3705	1.0949	1.0949	2.5539
B2	1.3705		2.1688	2.1688	1.1834
H3	1.0949	2.1688		1.8403	3.2790
H4	1.0949	2.1688	1.8403		3.2790
H5	2.5539	1.1834	3.2790	3.2790

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.817
B2	C1	H4	122.817		H4	C1	H3	114.366

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: LSDA/TZVP

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	-0.558
2	B	0.188
3	H	0.178
4	H	0.178
5	H	0.015

	x	y	z	Total
	0.000	0.000	-0.423	0.423
CHELPG
AIM
ESP

<r²>	21.729
(<r²>)^1/2	4.661

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: LSDA/TZVP

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)