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	hartrees
Energy at 0K	-10.176963
Energy at 298.15K	-10.178206
HF Energy	-10.176963
Nuclear repulsion energy	12.704120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3146	4.79
2	A₁	2847	2847	25.28
3	A₁	1512	1512	66.66
4	A₁	1288	1288	3.27
5	B₁	751	751	111.66
6	B₁	662	662	3.39
7	B₂	3223	3223	0.02
8	B₂	925	925	47.56
9	B₂	449	449	4.49

Atom	y (Å)	z (Å)
C1	0.000	0.595
B2	0.000	-0.791
H3	0.921	1.179
H4	-0.921	1.179
H5	0.000	-1.969

	C1	B2	H3	H4	H5
C1		1.3862	1.0909	1.0909	2.5642
B2	1.3862		2.1749	2.1749	1.1781
H3	1.0909	2.1749		1.8429	3.2802
H4	1.0909	2.1749	1.8429		3.2802
H5	2.5642	1.1781	3.2802	3.2802

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.362
B2	C1	H4	122.362		H4	C1	H3	115.276

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/CEP-121G*

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	-0.447
2	B	-0.071
3	H	0.210
4	H	0.210
5	H	0.097

	x	y	z	Total
	0.000	0.000	-0.606	0.606
CHELPG
AIM
ESP

<r²>	19.690
(<r²>)^1/2	4.437

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)