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	hartrees
Energy at 0K	-64.660796
Energy at 298.15K	-64.661979
HF Energy	-64.660796
Nuclear repulsion energy	23.785992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3021	11.19
2	A₁	2818	2684	23.34
3	A₁	1521	1449	53.79
4	A₁	1251	1192	7.52
5	B₁	737	702	79.87
6	B₁	649	618	0.73
7	B₂	3254	3100	3.11
8	B₂	893	850	43.27
9	B₂	400	381	2.79

Atom	y (Å)	z (Å)
C1	0.000	0.594
B2	0.000	-0.789
H3	0.926	1.178
H4	-0.926	1.178
H5	0.000	-1.974

	C1	B2	H3	H4	H5
C1		1.3837	1.0945	1.0945	2.5683
B2	1.3837		2.1744	2.1744	1.1846
H3	1.0945	2.1744		1.8516	3.2852
H4	1.0945	2.1744	1.8516		3.2852
H5	2.5683	1.1846	3.2852	3.2852

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.234
B2	C1	H4	122.234		H4	C1	H3	115.531

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/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	-0.155
2	B	-0.046
3	H	0.073
4	H	0.073
5	H	0.054

	x	y	z	Total
	0.000	0.000	-0.514	0.514
CHELPG
AIM
ESP

<r²>	21.670
(<r²>)^1/2	4.655

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)