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	hartrees
Energy at 0K	-64.713946
Energy at 298.15K	-64.715144
HF Energy	-64.713946
Nuclear repulsion energy	23.934953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3035	11.11
2	A₁	2832	2743	19.96
3	A₁	1504	1457	53.34
4	A₁	1286	1245	5.88
5	B₁	739	716	77.39
6	B₁	631	611	2.96
7	B₂	3195	3094	1.08
8	B₂	916	887	39.09
9	B₂	414	401	1.24

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	1.0859	1.0859	2.5493
B2	1.3772		2.1656	2.1656	1.1721
H3	1.0859	2.1656		1.8285	3.2658
H4	1.0859	2.1656	1.8285		3.2658
H5	2.5493	1.1721	3.2658	3.2658

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.654
B2	C1	H4	122.654		H4	C1	H3	114.693

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: TPSSh/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	-0.322
2	B	0.092
3	H	0.116
4	H	0.116
5	H	-0.003

	x	y	z	Total
	0.000	0.000	-0.521	0.521
CHELPG
AIM
ESP

<r²>	21.618
(<r²>)^1/2	4.649

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)