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	hartrees
Energy at 0K	-64.302895
Energy at 298.15K	-64.304253
HF Energy	-64.302895
Nuclear repulsion energy	23.824466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	13.54
2	A₁	2868	2868	19.99
3	A₁	1544	1544	54.20
4	A₁	1339	1339	8.61
5	B₁	831	831	127.35
6	B₁	727	727	1.47
7	B₂	3228	3228	1.76
8	B₂	952	952	72.08
9	B₂	503	503	5.76

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.791
H3	0.916	1.182
H4	-0.916	1.182
H5	0.000	-1.970

	C1	B2	H3	H4	H5
C1		1.3843	1.0892	1.0892	2.5631
B2	1.3843		2.1756	2.1756	1.1788
H3	1.0892	2.1756		1.8325	3.2825
H4	1.0892	2.1756	1.8325		3.2825
H5	2.5631	1.1788	3.2825	3.2825

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.734
B2	C1	H4	122.734		H4	C1	H3	114.533

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/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	-0.873
2	B	0.343
3	H	0.223
4	H	0.223
5	H	0.085

	x	y	z	Total
	0.000	0.000	-0.331	0.331
CHELPG
AIM
ESP

<r²>	21.655
(<r²>)^1/2	4.653

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)