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	hartrees
Energy at 0K	-64.720883
Energy at 298.15K	-64.722093
HF Energy	-64.720883
Nuclear repulsion energy	24.007081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3035	12.49
2	A₁	2838	2750	18.65
3	A₁	1512	1465	57.95
4	A₁	1279	1239	6.77
5	B₁	738	715	80.77
6	B₁	648	628	0.39
7	B₂	3191	3092	1.81
8	B₂	917	889	37.72
9	B₂	420	407	0.92

Atom	y (Å)	z (Å)
C1	0.000	0.588
B2	0.000	-0.784
H3	0.913	1.173
H4	-0.913	1.173
H5	0.000	-1.953

	C1	B2	H3	H4	H5
C1		1.3723	1.0838	1.0838	2.5408
B2	1.3723		2.1593	2.1593	1.1685
H3	1.0838	2.1593		1.8252	3.2559
H4	1.0838	2.1593	1.8252		3.2559
H5	2.5408	1.1685	3.2559	3.2559

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.646
B2	C1	H4	122.646		H4	C1	H3	114.708

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.944
2	B	0.386
3	H	0.375
4	H	0.375
5	H	-0.192

	x	y	z	Total
	0.000	0.000	-0.589	0.589
CHELPG
AIM
ESP

<r²>	21.685
(<r²>)^1/2	4.657

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)