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	hartrees
Energy at 0K	-64.582660
Energy at 298.15K	-64.583764
HF Energy	-64.582660
Nuclear repulsion energy	23.680921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3063	15.66
2	A₁	2771	2754	17.04
3	A₁	1468	1459	53.00
4	A₁	1211	1203	12.68
5	B₁	690	686	77.31
6	B₁	592	588	4.09
7	B₂	3155	3136	2.75
8	B₂	879	874	28.67
9	B₂	378	376	1.62

Atom	y (Å)	z (Å)
C1	0.000	0.596
B2	0.000	-0.794
H3	0.927	1.188
H4	-0.927	1.188
H5	0.000	-1.982

	C1	B2	H3	H4	H5
C1		1.3893	1.1002	1.1002	2.5778
B2	1.3893		2.1878	2.1878	1.1885
H3	1.1002	2.1878		1.8542	3.3030
H4	1.1002	2.1878	1.8542		3.3030
H5	2.5778	1.1885	3.3030	3.3030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.576
B2	C1	H4	122.576		H4	C1	H3	114.848

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.641
2	B	-0.510
3	H	-0.344
4	H	-0.344
5	H	0.557

	x	y	z	Total
	0.000	0.000	-0.496	0.496
CHELPG
AIM
ESP

<r²>	22.093
(<r²>)^1/2	4.700

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)