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	hartrees
Energy at 0K	-64.708439
Energy at 298.15K	-64.709648
HF Energy	-64.708439
Nuclear repulsion energy	23.964682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3027	11.62
2	A₁	2838	2744	17.74
3	A₁	1515	1465	55.42
4	A₁	1276	1234	8.72
5	B₁	732	708	88.64
6	B₁	646	624	2.97
7	B₂	3193	3087	0.95
8	B₂	922	891	47.00
9	B₂	422	408	2.58

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.785
H3	0.916	1.174
H4	-0.916	1.174
H5	0.000	-1.955

	C1	B2	H3	H4	H5
C1		1.3745	1.0865	1.0865	2.5443
B2	1.3745		2.1627	2.1627	1.1698
H3	1.0865	2.1627		1.8316	3.2602
H4	1.0865	2.1627	1.8316		3.2602
H5	2.5443	1.1698	3.2602	3.2602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.557
B2	C1	H4	122.557		H4	C1	H3	114.886

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/6-311G**

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	-0.481
2	B	0.199
3	H	0.121
4	H	0.121
5	H	0.039

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP

<r²>	21.589
(<r²>)^1/2	4.646

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)