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	hartrees
Energy at 0K	-64.714625
Energy at 298.15K	-64.715824
HF Energy	-64.714625
Nuclear repulsion energy	23.934174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3024	10.98
2	A₁	2832	2734	20.27
3	A₁	1503	1450	56.18
4	A₁	1285	1240	5.47
5	B₁	738	713	77.47
6	B₁	634	612	2.40
7	B₂	3193	3082	1.13
8	B₂	916	884	36.04
9	B₂	413	399	0.83

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.787
H3	0.914	1.176
H4	-0.914	1.176
H5	0.000	-1.959

	C1	B2	H3	H4	H5
C1		1.3772	1.0860	1.0860	2.5493
B2	1.3772		2.1658	2.1658	1.1721
H3	1.0860	2.1658		1.8284	3.2660
H4	1.0860	2.1658	1.8284		3.2660
H5	2.5493	1.1721	3.2660	3.2660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.667
B2	C1	H4	122.667		H4	C1	H3	114.667

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.434
2	B	-0.062
3	H	0.271
4	H	0.271
5	H	-0.046

	x	y	z	Total
	0.000	0.000	-0.579	0.579
CHELPG
AIM
ESP

<r²>	21.689
(<r²>)^1/2	4.657

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)