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	hartrees
Energy at 0K	-64.719111
Energy at 298.15K	-64.720308
HF Energy	-64.719111
Nuclear repulsion energy	23.951540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3130	10.63
2	A₁	2835	2835	20.66
3	A₁	1503	1503	56.25
4	A₁	1285	1285	5.42
5	B₁	739	739	77.15
6	B₁	637	637	2.37
7	B₂	3191	3191	1.06
8	B₂	916	916	36.43
9	B₂	412	412	0.83

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.786
H3	0.914	1.176
H4	-0.914	1.176
H5	0.000	-1.958

	C1	B2	H3	H4	H5
C1		1.3761	1.0854	1.0854	2.5473
B2	1.3761		2.1643	2.1643	1.1712
H3	1.0854	2.1643		1.8274	3.2636
H4	1.0854	2.1643	1.8274		3.2636
H5	2.5473	1.1712	3.2636	3.2636

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.666
B2	C1	H4	122.666		H4	C1	H3	114.668

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: TPSSh/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	-1.040
2	B	0.594
3	H	0.440
4	H	0.440
5	H	-0.434

	x	y	z	Total
	0.000	0.000	-0.580	0.580
CHELPG
AIM
ESP

<r²>	21.663
(<r²>)^1/2	4.654

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)