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	hartrees
Energy at 0K	-64.641507
Energy at 298.15K	-64.642791
HF Energy	-64.641507
Nuclear repulsion energy	23.822594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3036	9.69
2	A₁	2851	2730	25.90
3	A₁	1524	1460	55.79
4	A₁	1318	1263	6.02
5	B₁	788	755	126.85
6	B₁	664	636	0.01
7	B₂	3243	3106	0.12
8	B₂	935	895	57.47
9	B₂	476	456	5.74

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.792
H3	0.916	1.182
H4	-0.916	1.182
H5	0.000	-1.968

	C1	B2	H3	H4	H5
C1		1.3854	1.0889	1.0889	2.5618
B2	1.3854		2.1761	2.1761	1.1765
H3	1.0889	2.1761		1.8324	3.2808
H4	1.0889	2.1761	1.8324		3.2808
H5	2.5618	1.1765	3.2808	3.2808

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.711
B2	C1	H4	122.711		H4	C1	H3	114.577

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/6-31G

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	-0.590
2	B	0.167
3	H	0.180
4	H	0.180
5	H	0.063

	x	y	z	Total
	0.000	0.000	-0.401	0.401
CHELPG
AIM
ESP

<r²>	21.473
(<r²>)^1/2	4.634

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)