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	hartrees
Energy at 0K	-64.651087
Energy at 298.15K	-64.652316
HF Energy	-64.651087
Nuclear repulsion energy	23.891185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3029	14.54
2	A₁	2893	2754	26.25
3	A₁	1534	1460	63.24
4	A₁	1279	1218	5.12
5	B₁	763	726	113.21
6	B₁	658	627	0.77
7	B₂	3255	3099	2.46
8	B₂	927	882	52.25
9	B₂	429	408	5.24

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.788
H3	0.919	1.173
H4	-0.919	1.173
H5	0.000	-1.961

	C1	B2	H3	H4	H5
C1		1.3810	1.0870	1.0870	2.5540
B2	1.3810		2.1660	2.1660	1.1730
H3	1.0870	2.1660		1.8384	3.2663
H4	1.0870	2.1660	1.8384		3.2663
H5	2.5540	1.1730	3.2663	3.2663

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.265
B2	C1	H4	122.265		H4	C1	H3	115.469

All results from a given calculation for CH₂BH (methyleneborane)

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

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	-0.614
2	B	0.214
3	H	0.176
4	H	0.176
5	H	0.047

	x	y	z	Total
	0.000	0.000	-0.693	0.693
CHELPG
AIM
ESP

<r²>	21.789
(<r²>)^1/2	4.668

All results from a given calculation for CH2BH (methyleneborane)

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

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)