CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	3451		1985Ger/Lew:153					NH₂ s-str
2	A₁	2495							BH₂ sym str
3	A₁	1625							NH₂ scissors
4	A₁	1337							BN stretch
5	A₁	1225							BH₂ sciss
6	A₂	763						estimated from perturbation in nu4	torsion
7	B₁	1005							NH₂ wag
8	B₁	670						estimated from perturbation in nu4	BH wag
9	B₂	3534							NH₂ a-str
10	B₂	2564							BH₂ asym str
11	B₂	1131							NH₂ rock
12	B₂	595						estimated from perturbation in nu4	BH₂ rock

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBN	1.391	0.002	1	2			1987Sug/Tak:286-292
rBH	1.195	0.004	1	3			1987Sug/Tak:286-292
rNH	1.004	0.002	2	5			1987Sug/Tak:286-292
aHBH	122.2	0.2	3	1	4		1987Sug/Tak:286-292
aHNH	114.2	0.2	5	2	6		1987Sug/Tak:286-292
dHBNH	0		3	1	2	5	1987Sug/Tak:286-292	planar

Atom	y (Å)	z (Å)
B1	0.0000	-0.7784
N2	0.0000	0.6126
H3	1.0462	-1.3559
H4	-1.0462	-1.3559
H5	0.8430	1.1579
H6	-0.8430	1.1579

	B1	N2	H3	H4	H5	H6
B1		1.3910	1.1950	1.1950	2.1119	2.1119
N2	1.3910		2.2293	2.2293	1.0040	1.0040
H3	1.1950	2.2293		2.0924	2.5221	3.1446
H4	1.1950	2.2293	2.0924		3.1446	2.5221
H5	2.1119	1.0040	2.5221	3.1446		1.6860
H6	2.1119	1.0040	3.1446	2.5221	1.6860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H5	122.900	B1	N2	H6	122.900
N2	B1	H3	118.900	N2	B1	H4	118.900
H3	B1	H4	122.200	H5	N2	H6	114.200

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_2v	True			1.844	1.844	1987Sug/Tak:286-292	μ₀ +-0.015 D	C_2v	1	2

squib	reference	DOI
1985Ger/Lew:153	MCL Gerry, W Lewis-Bevan, AJ Merer, NPC Westwood "The Infrared Spectrum of Gaseous Aminoborane, H2N=BH2: Location of the Fundamentals and Rotational Structure in the 4(10) band (BN Stretching Vibration at 1337 cm-1)" J. Mol. Spect. 110, 153-163 (1985)	10.1016/0022-2852(85)90219-X
1987Sug/Tak:286-292	M Sugie,H Takeo, C Matsumura "Microwave spectrum and molecular structure of aminoborane, BH2NH2" J. Mol. Spect., 1987, 286-292	10.1016/0022-2852(87)90279-7

Bond Type	Count
B-N	1
H-B	2
H-N	2

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Experimental data for BH2NH2 (Boranamine)

Experimental data for BH₂NH₂ (Boranamine)