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	hartrees
Energy at 0K	-10.159997
Energy at 298.15K	-10.161314
HF Energy	-10.159997
Nuclear repulsion energy	12.666130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	3021	7.25
2	A₁	2801	2730	20.83
3	A₁	1484	1446	60.91
4	A₁	1304	1270	4.90
5	B₁	787	767	140.63
6	B₁	673	656	1.09
7	B₂	3174	3093	0.83
8	B₂	940	916	49.13
9	B₂	496	483	6.09

Atom	y (Å)	z (Å)
C1	0.000	0.597
B2	0.000	-0.797
H3	0.918	1.188
H4	-0.918	1.188
H5	0.000	-1.975

	C1	B2	H3	H4	H5
C1		1.3938	1.0914	1.0914	2.5726
B2	1.3938		2.1863	2.1863	1.1787
H3	1.0914	2.1863		1.8358	3.2935
H4	1.0914	2.1863	1.8358		3.2935
H5	2.5726	1.1787	3.2935	3.2935

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.752
B2	C1	H4	122.752		H4	C1	H3	114.497

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/CEP-121G

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	-0.274
2	B	-0.188
3	H	0.174
4	H	0.174
5	H	0.113

	x	y	z	Total
	0.000	0.000	-0.539	0.539
CHELPG
AIM
ESP

<r²>	19.901
(<r²>)^1/2	4.461

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)