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	hartrees
Energy at 0K	-64.684955
Energy at 298.15K	-64.686152
HF Energy	-64.684955
Nuclear repulsion energy	23.988770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3032	14.46
2	A₁	2836	2720	18.27
3	A₁	1519	1457	56.24
4	A₁	1274	1222	8.55
5	B₁	736	706	82.06
6	B₁	652	625	2.37
7	B₂	3228	3096	2.60
8	B₂	911	874	40.88
9	B₂	404	388	1.78

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.784
H3	0.914	1.171
H4	-0.914	1.171
H5	0.000	-1.957

	C1	B2	H3	H4	H5
C1		1.3731	1.0840	1.0840	2.5457
B2	1.3731		2.1587	2.1587	1.1725
H3	1.0840	2.1587		1.8286	3.2589
H4	1.0840	2.1587	1.8286		3.2589
H5	2.5457	1.1725	3.2589	3.2589

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.493
B2	C1	H4	122.493		H4	C1	H3	115.014

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/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	-0.344
2	B	0.052
3	H	0.125
4	H	0.125
5	H	0.041

	x	y	z	Total
	0.000	0.000	-0.546	0.546
CHELPG
AIM
ESP

<r²>	21.531
(<r²>)^1/2	4.640

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)