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	hartrees
Energy at 0K	-63.850505
Energy at 298.15K	-63.851743
HF Energy	-63.850505
Nuclear repulsion energy	24.086150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3398	3007	61.73
2	A₁	3174	2809	9.94
3	A₁	1688	1494	49.22
4	A₁	1436	1271	2.38
5	B₁	849	751	38.55
6	B₁	722	639	8.01
7	B₂	3513	3109	15.20
8	B₂	984	870	89.55
9	B₂	497	440	1.72

Atom	y (Å)	z (Å)
C1	0.000	0.580
B2	0.000	-0.778
H3	0.918	1.178
H4	-0.918	1.178
H5	0.000	-1.941

	C1	B2	H3	H4	H5
C1		1.3581	1.0952	1.0952	2.5206
B2	1.3581		2.1606	2.1606	1.1625
H3	1.0952	2.1606		1.8352	3.2507
H4	1.0952	2.1606	1.8352		3.2507
H5	2.5206	1.1625	3.2507	3.2507

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.090
B2	C1	H4	123.090		H4	C1	H3	113.821

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/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	-0.350
2	B	0.187
3	H	0.091
4	H	0.091
5	H	-0.018

	x	y	z	Total
	0.000	0.000	-0.261	0.261
CHELPG
AIM
ESP

<r²>	20.467
(<r²>)^1/2	4.524

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)