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	hartrees
Energy at 0K	-64.219730
Energy at 298.15K	-64.221074
HF Energy	-64.171963
Nuclear repulsion energy	23.799889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3160	11.39
2	A₁	2887	2887	16.81
3	A₁	1532	1532	47.67
4	A₁	1350	1350	4.55
5	B₁	813	813	111.64
6	B₁	697	697	0.00
7	B₂	3220	3220	0.75
8	B₂	979	979	62.75
9	B₂	509	509	4.95

Atom	y (Å)	z (Å)
C1	0.000	0.595
B2	0.000	-0.794
H3	0.915	1.183
H4	-0.915	1.183
H5	0.000	-1.968

	C1	B2	H3	H4	H5
C1		1.3887	1.0881	1.0881	2.5632
B2	1.3887		2.1785	2.1785	1.1746
H3	1.0881	2.1785		1.8309	3.2817
H4	1.0881	2.1785	1.8309		3.2817
H5	2.5632	1.1746	3.2817	3.2817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.722
B2	C1	H4	122.722		H4	C1	H3	114.557

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/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	-0.810
2	B	0.340
3	H	0.199
4	H	0.199
5	H	0.072

	x	y	z	Total
	0.000	0.000	-0.291	0.291
CHELPG
AIM
ESP

<r²>	21.776
(<r²>)^1/2	4.666

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)