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	hartrees
Energy at 0K	-64.678165
Energy at 298.15K	-64.679363
HF Energy	-64.678165
Nuclear repulsion energy	23.934341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3035	13.78
2	A₁	2828	2727	18.78
3	A₁	1513	1459	59.02
4	A₁	1270	1224	9.36
5	B₁	733	707	99.22
6	B₁	646	623	3.70
7	B₂	3214	3100	2.83
8	B₂	914	881	52.11
9	B₂	412	397	3.60

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.786
H3	0.915	1.175
H4	-0.915	1.175
H5	0.000	-1.961

	C1	B2	H3	H4	H5
C1		1.3763	1.0865	1.0865	2.5509
B2	1.3763		2.1645	2.1645	1.1746
H3	1.0865	2.1645		1.8310	3.2669
H4	1.0865	2.1645	1.8310		3.2669
H5	2.5509	1.1746	3.2669	3.2669

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.580
B2	C1	H4	122.580		H4	C1	H3	114.840

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/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	-0.498
2	B	0.188
3	H	0.152
4	H	0.152
5	H	0.006

	x	y	z	Total
	0.000	0.000	-0.568	0.568
CHELPG
AIM
ESP

<r²>	21.631
(<r²>)^1/2	4.651

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)