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	hartrees
Energy at 0K	-64.581756
Energy at 298.15K	-64.582858
HF Energy	-64.581756
Nuclear repulsion energy	23.697863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	3055	13.40
2	A₁	2783	2751	22.69
3	A₁	1474	1457	57.05
4	A₁	1228	1214	10.35
5	B₁	692	684	106.42
6	B₁	581	574	6.67
7	B₂	3159	3123	2.89
8	B₂	890	880	45.08
9	B₂	387	383	6.76

Atom	y (Å)	z (Å)
C1	0.000	0.596
B2	0.000	-0.795
H3	0.924	1.187
H4	-0.924	1.187
H5	0.000	-1.979

	C1	B2	H3	H4	H5
C1		1.3911	1.0964	1.0964	2.5756
B2	1.3911		2.1866	2.1866	1.1845
H3	1.0964	2.1866		1.8471	3.2984
H4	1.0964	2.1866	1.8471		3.2984
H5	2.5756	1.1845	3.2984	3.2984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.608
B2	C1	H4	122.608		H4	C1	H3	114.784

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.603
2	B	0.191
3	H	0.179
4	H	0.179
5	H	0.055

	x	y	z	Total
	0.000	0.000	-0.507	0.507
CHELPG
AIM
ESP

<r²>	22.069
(<r²>)^1/2	4.698

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)