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	hartrees
Energy at 0K	-64.645211
Energy at 298.15K	-64.646428
HF Energy	-64.645211
Nuclear repulsion energy	23.927993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3030	13.86
2	A₁	2896	2752	22.83
3	A₁	1548	1471	51.36
4	A₁	1286	1222	4.75
5	B₁	755	717	82.54
6	B₁	656	624	4.75
7	B₂	3262	3100	1.26
8	B₂	928	882	49.01
9	B₂	421	400	4.07

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.786
H3	0.919	1.171
H4	-0.919	1.171
H5	0.000	-1.959

	C1	B2	H3	H4	H5
C1		1.3779	1.0861	1.0861	2.5509
B2	1.3779		2.1622	2.1622	1.1729
H3	1.0861	2.1622		1.8372	3.2623
H4	1.0861	2.1622	1.8372		3.2623
H5	2.5509	1.1729	3.2623	3.2623

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.244
B2	C1	H4	122.244		H4	C1	H3	115.512

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: M06-2X/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	-0.452
2	B	0.147
3	H	0.142
4	H	0.142
5	H	0.020

	x	y	z	Total
	0.000	0.000	-0.520	0.520
CHELPG
AIM
ESP

<r²>	21.351
(<r²>)^1/2	4.621

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)