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	hartrees
Energy at 0K	-64.654672
Energy at 298.15K	-64.655897
HF Energy	-64.654672
Nuclear repulsion energy	23.867633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3175	15.85
2	A₁	2865	2865	19.76
3	A₁	1523	1523	61.08
4	A₁	1257	1257	7.99
5	B₁	763	763	82.99
6	B₁	658	658	0.08
7	B₂	3253	3253	3.01
8	B₂	912	912	34.91
9	B₂	420	420	1.15

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.787
H3	0.923	1.174
H4	-0.923	1.174
H5	0.000	-1.965

	C1	B2	H3	H4	H5
C1		1.3799	1.0907	1.0907	2.5573
B2	1.3799		2.1675	2.1675	1.1774
H3	1.0907	2.1675		1.8456	3.2715
H4	1.0907	2.1675	1.8456		3.2715
H5	2.5573	1.1774	3.2715	3.2715

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.209
B2	C1	H4	122.209		H4	C1	H3	115.582

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.766
2	B	-0.409
3	H	-0.420
4	H	-0.420
5	H	0.483

	x	y	z	Total
	0.000	0.000	-0.695	0.695
CHELPG
AIM
ESP

<r²>	21.806
(<r²>)^1/2	4.670

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)