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	hartrees
Energy at 0K	-64.656578
Energy at 298.15K	-64.657772
HF Energy	-64.656578
Nuclear repulsion energy	23.874307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3023	9.29
2	A₁	2869	2721	25.03
3	A₁	1539	1459	52.36
4	A₁	1298	1231	4.81
5	B₁	737	699	82.03
6	B₁	636	603	11.70
7	B₂	3257	3089	0.77
8	B₂	924	876	52.18
9	B₂	423	401	4.12

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.789
H3	0.917	1.176
H4	-0.917	1.176
H5	0.000	-1.966

	C1	B2	H3	H4	H5
C1		1.3813	1.0872	1.0872	2.5586
B2	1.3813		2.1683	2.1683	1.1773
H3	1.0872	2.1683		1.8350	3.2731
H4	1.0872	2.1683	1.8350		3.2731
H5	2.5586	1.1773	3.2731	3.2731

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.450
B2	C1	H4	122.450		H4	C1	H3	115.100

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/6-31G*

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	-0.575
2	B	0.133
3	H	0.192
4	H	0.192
5	H	0.057

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

<r²>	21.365
(<r²>)^1/2	4.622

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)