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	hartrees
Energy at 0K	-64.640761
Energy at 298.15K	-64.641902
HF Energy	-64.640761
Nuclear repulsion energy	23.838362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3054	15.26
2	A₁	2835	2725	22.12
3	A₁	1520	1461	51.40
4	A₁	1237	1189	9.36
5	B₁	717	689	69.36
6	B₁	630	606	7.28
7	B₂	3258	3131	4.10
8	B₂	900	865	38.23
9	B₂	376	361	3.98

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.788
H3	0.924	1.176
H4	-0.924	1.176
H5	0.000	-1.970

	C1	B2	H3	H4	H5
C1		1.3803	1.0926	1.0926	2.5625
B2	1.3803		2.1701	2.1701	1.1822
H3	1.0926	2.1701		1.8475	3.2787
H4	1.0926	2.1701	1.8475		3.2787
H5	2.5625	1.1822	3.2787	3.2787

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.276
B2	C1	H4	122.276		H4	C1	H3	115.448

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B1B95/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	-0.126
2	B	-0.044
3	H	0.063
4	H	0.063
5	H	0.045

	x	y	z	Total
	0.000	0.000	-0.453	0.453
CHELPG
AIM
ESP

<r²>	21.589
(<r²>)^1/2	4.646

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)