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	hartrees
Energy at 0K	-64.300635
Energy at 298.15K	-64.301975
HF Energy	-64.300635
Nuclear repulsion energy	23.799414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3021	13.38
2	A₁	2855	2744	18.45
3	A₁	1528	1468	51.39
4	A₁	1327	1275	9.72
5	B₁	801	770	124.29
6	B₁	714	686	0.17
7	B₂	3204	3080	1.53
8	B₂	966	928	63.41
9	B₂	497	478	7.49

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.792
H3	0.917	1.185
H4	-0.917	1.185
H5	0.000	-1.971

	C1	B2	H3	H4	H5
C1		1.3855	1.0911	1.0911	2.5645
B2	1.3855		2.1792	2.1792	1.1790
H3	1.0911	2.1792		1.8338	3.2864
H4	1.0911	2.1792	1.8338		3.2864
H5	2.5645	1.1790	3.2864	3.2864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.825
B2	C1	H4	122.825		H4	C1	H3	114.351

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/3-21G

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	-0.877
2	B	0.357
3	H	0.221
4	H	0.221
5	H	0.078

	x	y	z	Total
	0.000	0.000	-0.284	0.284
CHELPG
AIM
ESP

<r²>	21.670
(<r²>)^1/2	4.655

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)