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	hartrees
Energy at 0K	-64.599872
Energy at 298.15K	-64.600985
HF Energy	-64.599872
Nuclear repulsion energy	23.832629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3054	16.53
2	A₁	2768	2749	16.96
3	A₁	1474	1464	50.96
4	A₁	1226	1218	12.57
5	B₁	691	687	74.88
6	B₁	601	597	5.71
7	B₂	3136	3114	2.97
8	B₂	886	879	34.66
9	B₂	378	376	2.67

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.789
H3	0.919	1.183
H4	-0.919	1.183
H5	0.000	-1.969

	C1	B2	H3	H4	H5
C1		1.3807	1.0929	1.0929	2.5608
B2	1.3807		2.1756	2.1756	1.1801
H3	1.0929	2.1756		1.8385	3.2833
H4	1.0929	2.1756	1.8385		3.2833
H5	2.5608	1.1801	3.2833	3.2833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.745
B2	C1	H4	122.745		H4	C1	H3	114.511

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.327
2	B	0.044
3	H	0.125
4	H	0.125
5	H	0.033

	x	y	z	Total
	0.000	0.000	-0.411	0.411
CHELPG
AIM
ESP

<r²>	21.798
(<r²>)^1/2	4.669

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)