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	hartrees
Energy at 0K	-64.652594
Energy at 298.15K	-64.653740
HF Energy	-64.652594
Nuclear repulsion energy	23.698198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	3060	12.09
2	A₁	2778	2773	17.79
3	A₁	1466	1463	52.88
4	A₁	1229	1227	9.27
5	B₁	702	701	77.97
6	B₁	594	593	1.48
7	B₂	3130	3124	1.24
8	B₂	893	891	29.15
9	B₂	409	408	0.90

Atom	y (Å)	z (Å)
C1	0.000	0.595
B2	0.000	-0.794
H3	0.926	1.189
H4	-0.926	1.189
H5	0.000	-1.977

	C1	B2	H3	H4	H5
C1		1.3892	1.0996	1.0996	2.5724
B2	1.3892		2.1882	2.1882	1.1832
H3	1.0996	2.1882		1.8512	3.2985
H4	1.0996	2.1882	1.8512		3.2985
H5	2.5724	1.1832	3.2985	3.2985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.671
B2	C1	H4	122.671		H4	C1	H3	114.658

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.959
2	B	-0.685
3	H	-0.482
4	H	-0.482
5	H	0.689

	x	y	z	Total
	0.000	0.000	-0.526	0.526
CHELPG
AIM
ESP

<r²>	22.172
(<r²>)^1/2	4.709

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)