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	hartrees
Energy at 0K	-64.598492
Energy at 298.15K	-64.599616
HF Energy	-64.598492
Nuclear repulsion energy	23.800794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	3044	16.16
2	A₁	2773	2742	17.16
3	A₁	1476	1459	54.45
4	A₁	1229	1215	13.36
5	B₁	694	686	91.57
6	B₁	604	597	8.59
7	B₂	3141	3106	3.47
8	B₂	891	881	45.16
9	B₂	388	383	4.67

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.790
H3	0.920	1.184
H4	-0.920	1.184
H5	0.000	-1.972

	C1	B2	H3	H4	H5
C1		1.3830	1.0939	1.0939	2.5643
B2	1.3830		2.1786	2.1786	1.1813
H3	1.0939	2.1786		1.8398	3.2875
H4	1.0939	2.1786	1.8398		3.2875
H5	2.5643	1.1813	3.2875	3.2875

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.760
B2	C1	H4	122.760		H4	C1	H3	114.480

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBE/TZVP

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	-0.474
2	B	0.167
3	H	0.148
4	H	0.148
5	H	0.011

	x	y	z	Total
	0.000	0.000	-0.458	0.458
CHELPG
AIM
ESP

<r²>	21.876
(<r²>)^1/2	4.677

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)