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	hartrees
Energy at 0K	-64.675902
Energy at 298.15K	-64.677187
HF Energy	-64.675902
Nuclear repulsion energy	23.801241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3041	6.20
2	A₁	2862	2754	29.10
3	A₁	1518	1460	52.47
4	A₁	1330	1279	3.23
5	B₁	789	759	117.53
6	B₁	653	628	0.32
7	B₂	3229	3107	0.06
8	B₂	943	907	56.10
9	B₂	480	462	4.38

Atom	y (Å)	z (Å)
C1	0.000	0.595
B2	0.000	-0.794
H3	0.915	1.184
H4	-0.915	1.184
H5	0.000	-1.967

	C1	B2	H3	H4	H5
C1		1.3883	1.0887	1.0887	2.5617
B2	1.3883		2.1795	2.1795	1.1734
H3	1.0887	2.1795		1.8303	3.2817
H4	1.0887	2.1795	1.8303		3.2817
H5	2.5617	1.1734	3.2817	3.2817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.798
B2	C1	H4	122.798		H4	C1	H3	114.403

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: TPSSh/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	-0.571
2	B	0.171
3	H	0.171
4	H	0.171
5	H	0.058

	x	y	z	Total
	0.000	0.000	-0.394	0.394
CHELPG
AIM
ESP

<r²>	21.529
(<r²>)^1/2	4.640

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)