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	hartrees
Energy at 0K	-63.783014
Energy at 298.15K	-63.784262
HF Energy	-63.783014
Nuclear repulsion energy	24.131559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3429	3024	65.30
2	A₁	3195	2818	10.67
3	A₁	1703	1502	50.47
4	A₁	1445	1275	2.61
5	B₁	860	758	39.97
6	B₁	736	649	7.61
7	B₂	3546	3128	16.78
8	B₂	987	871	91.09
9	B₂	497	438	1.92

Atom	y (Å)	z (Å)
C1	0.000	0.579
B2	0.000	-0.777
H3	0.916	1.175
H4	-0.916	1.175
H5	0.000	-1.938

	C1	B2	H3	H4	H5
C1		1.3554	1.0931	1.0931	2.5166
B2	1.3554		2.1559	2.1559	1.1612
H3	1.0931	2.1559		1.8325	3.2448
H4	1.0931	2.1559	1.8325		3.2448
H5	2.5166	1.1612	3.2448	3.2448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.051
B2	C1	H4	123.051		H4	C1	H3	113.899

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBE1PBE/STO-3G

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	-0.353
2	B	0.184
3	H	0.092
4	H	0.092
5	H	-0.015

	x	y	z	Total
	0.000	0.000	-0.264	0.264
CHELPG
AIM
ESP

<r²>	20.409
(<r²>)^1/2	4.518

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)