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	hartrees
Energy at 0K	-64.716353
Energy at 298.15K	-64.717567
HF Energy	-64.716353
Nuclear repulsion energy	23.992069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3031	12.45
2	A₁	2841	2749	18.40
3	A₁	1512	1463	57.96
4	A₁	1279	1237	6.70
5	B₁	738	714	80.73
6	B₁	649	628	0.57
7	B₂	3191	3088	1.76
8	B₂	919	889	37.40
9	B₂	420	407	0.90

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.785
H3	0.913	1.173
H4	-0.913	1.173
H5	0.000	-1.954

	C1	B2	H3	H4	H5
C1		1.3734	1.0843	1.0843	2.5423
B2	1.3734		2.1606	2.1606	1.1689
H3	1.0843	2.1606		1.8262	3.2577
H4	1.0843	2.1606	1.8262		3.2577
H5	2.5423	1.1689	3.2577	3.2577

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.640
B2	C1	H4	122.640		H4	C1	H3	114.719

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYPultrafine/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	-0.660
2	B	-0.151
3	H	0.391
4	H	0.391
5	H	0.028

	x	y	z	Total
	0.000	0.000	-0.591	0.591
CHELPG
AIM
ESP

<r²>	21.708
(<r²>)^1/2	4.659

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)