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	hartrees
Energy at 0K	-64.633555
Energy at 298.15K	-64.634725
HF Energy	-64.633555
Nuclear repulsion energy	23.904859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3025	10.50
2	A₁	2863	2718	26.48
3	A₁	1540	1462	52.36
4	A₁	1292	1226	5.15
5	B₁	731	694	75.90
6	B₁	632	600	15.08
7	B₂	3255	3090	0.76
8	B₂	917	870	51.30
9	B₂	405	385	4.21

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.787
H3	0.916	1.175
H4	-0.916	1.175
H5	0.000	-1.964

	C1	B2	H3	H4	H5
C1		1.3789	1.0865	1.0865	2.5553
B2	1.3789		2.1660	2.1660	1.1764
H3	1.0865	2.1660		1.8329	3.2700
H4	1.0865	2.1660	1.8329		3.2700
H5	2.5553	1.1764	3.2700	3.2700

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.492
B2	C1	H4	122.492		H4	C1	H3	115.015

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B1B95/6-31G*

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	-0.538
2	B	0.120
3	H	0.184
4	H	0.184
5	H	0.052

	x	y	z	Total
	0.000	0.000	-0.447	0.447
CHELPG
AIM
ESP

<r²>	21.330
(<r²>)^1/2	4.618

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)