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	hartrees
Energy at 0K	-64.233667
Energy at 298.15K	-64.235012
HF Energy	-64.233667
Nuclear repulsion energy	23.806885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3031	14.51
2	A₁	2862	2749	17.25
3	A₁	1535	1474	52.28
4	A₁	1329	1277	10.20
5	B₁	807	775	127.31
6	B₁	721	692	0.04
7	B₂	3220	3092	2.12
8	B₂	967	928	64.09
9	B₂	496	477	7.64

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.792
H3	0.917	1.184
H4	-0.917	1.184
H5	0.000	-1.971

	C1	B2	H3	H4	H5
C1		1.3850	1.0907	1.0907	2.5642
B2	1.3850		2.1779	2.1779	1.1793
H3	1.0907	2.1779		1.8341	3.2853
H4	1.0907	2.1779	1.8341		3.2853
H5	2.5642	1.1793	3.2853	3.2853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.777
B2	C1	H4	122.777		H4	C1	H3	114.447

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBE1PBE/3-21G

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	-0.893
2	B	0.361
3	H	0.225
4	H	0.225
5	H	0.083

	x	y	z	Total
	0.000	0.000	-0.300	0.300
CHELPG
AIM
ESP

<r²>	21.679
(<r²>)^1/2	4.656

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBE1PBE/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)