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	hartrees
Energy at 0K	-63.861954
Energy at 298.15K	-63.863249
HF Energy	-63.861954
Nuclear repulsion energy	24.203771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3455	3455	65.51
2	A₁	3233	3233	10.26
3	A₁	1725	1725	47.90
4	A₁	1451	1451	1.70
5	B₁	909	909	37.87
6	B₁	770	770	7.34
7	B₂	3570	3570	18.45
8	B₂	1001	1001	92.04
9	B₂	513	513	2.13

Atom	y (Å)	z (Å)
C1	0.000	0.577
B2	0.000	-0.774
H3	0.915	1.171
H4	-0.915	1.171
H5	0.000	-1.931

	C1	B2	H3	H4	H5
C1		1.3509	1.0908	1.0908	2.5080
B2	1.3509		2.1496	2.1496	1.1571
H3	1.0908	2.1496		1.8293	3.2344
H4	1.0908	2.1496	1.8293		3.2344
H5	2.5080	1.1571	3.2344	3.2344

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.017
B2	C1	H4	123.017		H4	C1	H3	113.966

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: M06-2X/STO-3G

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	-0.346
2	B	0.205
3	H	0.082
4	H	0.082
5	H	-0.023

	x	y	z	Total
	0.000	0.000	-0.340	0.340
CHELPG
AIM
ESP

<r²>	20.369
(<r²>)^1/2	4.513

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)