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	hartrees
Energy at 0K	-104.549431
Energy at 298.15K	-104.560586
HF Energy	-104.453258
Nuclear repulsion energy	104.202425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2778	2778	71.73
2	A₁	2765	2765	14.02
3	A₁	2664	2664	30.64
4	A₁	2278	2278	20.77
5	A₁	1559	1559	10.45
6	A₁	1208	1208	8.90
7	A₁	1058	1058	2.37
8	A₁	864	864	0.16
9	A₁	825	825	0.09
10	A₁	730	730	0.22
11	A₁	579	579	0.03
12	A₁	253	253	5.99
13	A₂	2295	2295	0.00
14	A₂	1455	1455	0.00
15	A₂	1154	1154	0.00
16	A₂	1064	1064	0.00
17	A₂	920	920	0.00
18	A₂	665	665	0.00
19	A₂	430	430	0.00
20	B₁	2769	2769	21.71
21	B₁	2275	2275	16.23
22	B₁	1516	1516	34.79
23	B₁	1170	1170	3.21
24	B₁	1065	1065	40.65
25	B₁	949	949	22.01
26	B₁	773	773	0.05
27	B₁	578	578	29.38
28	B₂	2767	2767	54.50
29	B₂	2662	2662	57.08
30	B₂	2285	2285	129.85
31	B₂	1324	1324	4.79
32	B₂	1185	1185	31.74
33	B₂	944	944	3.79
34	B₂	877	877	57.94
35	B₂	475	475	8.63
36	B₂	384	384	2.32

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.480
B2	0.862	0.000	-0.480
B3	0.000	1.400	0.408
B4	0.000	-1.400	0.408
H5	-1.363	0.000	-1.551
H6	1.363	0.000	-1.551
H7	-1.329	0.915	0.243
H8	-1.329	-0.915	0.243
H9	1.329	-0.915	0.243
H10	1.329	0.915	0.243
H11	0.000	1.377	1.601
H12	0.000	2.437	-0.173
H13	0.000	-1.377	1.601
H14	0.000	-2.437	-0.173

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7238	1.8688	1.8688	1.1822	2.4695	1.2567	1.2567	2.4825	2.4825	2.6401	2.6033	2.6401	2.6033
B2	1.7238		1.8688	1.8688	2.4695	1.1822	2.4825	2.4825	1.2567	1.2567	2.6401	2.6033	2.6401	2.6033
B3	1.8688	1.8688		2.8003	2.7671	2.7671	1.4246	2.6752	2.6752	1.4246	1.1930	1.1885	3.0227	3.8810
B4	1.8688	1.8688	2.8003		2.7671	2.7671	2.6752	1.4246	1.4246	2.6752	3.0227	3.8810	1.1930	1.1885
H5	1.1822	2.4695	2.7671	2.7671		2.7269	2.0140	2.0140	3.3625	3.3625	3.6998	3.1141	3.6998	3.1141
H6	2.4695	1.1822	2.7671	2.7671	2.7269		3.3625	3.3625	2.0140	2.0140	3.6998	3.1141	3.6998	3.1141
H7	1.2567	2.4825	1.4246	2.6752	2.0140	3.3625		1.8309	3.2282	2.6588	1.9557	2.0629	2.9779	3.6304
H8	1.2567	2.4825	2.6752	1.4246	2.0140	3.3625	1.8309		2.6588	3.2282	2.9779	3.6304	1.9557	2.0629
H9	2.4825	1.2567	2.6752	1.4246	3.3625	2.0140	3.2282	2.6588		1.8309	2.9779	3.6304	1.9557	2.0629
H10	2.4825	1.2567	1.4246	2.6752	3.3625	2.0140	2.6588	3.2282	1.8309		1.9557	2.0629	2.9779	3.6304
H11	2.6401	2.6401	1.1930	3.0227	3.6998	3.6998	1.9557	2.9779	2.9779	1.9557		2.0661	2.7544	4.2065
H12	2.6033	2.6033	1.1885	3.8810	3.1141	3.1141	2.0629	3.6304	3.6304	2.0629	2.0661		4.2065	4.8743
H13	2.6401	2.6401	3.0227	1.1930	3.6998	3.6998	2.9779	1.9557	1.9557	2.9779	2.7544	4.2065		2.0661
H14	2.6033	2.6033	3.8810	1.1885	3.1141	3.1141	3.6304	2.0629	2.0629	3.6304	4.2065	4.8743	2.0661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.534	B1	B2	B4	62.534
B1	B2	H6	115.102	B1	B2	H9	111.838
B1	B2	H10	111.838	B1	B3	B2	54.931
B1	B3	H7	42.230	B1	B3	H10	96.911
B1	B3	H11	117.439	B1	B3	H12	114.926
B1	B4	B2	54.931	B1	B4	H8	42.230
B1	B4	H9	96.911	B1	B4	H13	117.439
B1	B4	H14	114.926	B1	H7	B3	88.136
B1	H8	B4	88.136	B2	B1	B3	62.534
B2	B1	B4	62.534	B2	B1	H5	115.102
B2	B1	H7	111.838	B2	B1	H8	111.838
B2	B3	H7	96.911	B2	B3	H10	42.230
B2	B3	H11	117.439	B2	B3	H12	114.926
B2	B4	H8	96.911	B2	B4	H9	42.230
B2	B4	H13	117.439	B2	B4	H14	114.926
B2	H9	B4	88.136	B2	H10	B3	88.136
B3	B1	B4	97.048	B3	B1	H5	128.762
B3	B1	H7	49.634	B3	B1	H8	116.352
B3	B2	B4	97.048	B3	B2	H6	128.762
B3	B2	H9	116.352	B3	B2	H10	49.634
B4	B1	H5	128.762	B4	B1	H7	116.352
B4	B1	H8	49.634	B4	B2	H6	128.762
B4	B2	H9	49.634	B4	B2	H10	116.352
H5	B1	H7	111.295	H5	B1	H8	111.295
H6	B2	H9	111.295	H6	B2	H10	111.295
H7	B1	H8	93.514	H7	B3	H10	137.864
H7	B3	H11	96.283	H7	B3	H12	103.896
H8	B4	H9	137.864	H8	B4	H13	96.283
H8	B4	H14	103.896	H9	B2	H10	93.514
H9	B4	H13	96.283	H9	B4	H14	103.896
H10	B3	H11	96.283	H10	B3	H12	103.896
H11	B3	H12	120.354	H13	B4	H14	120.354

All results from a given calculation for B₄H₁₀ (Tetraborane(10))

using model chemistry: B2PLYP/3-21G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	-0.336
2	B	-0.336
3	B	-0.242
4	B	-0.242
5	H	0.097
6	H	0.097
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146
11	H	0.105
12	H	0.084
13	H	0.105
14	H	0.084

<r²>	91.627
(<r²>)^1/2	9.572

All results from a given calculation for B4H10 (Tetraborane(10))

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for B₄H₁₀ (Tetraborane(10))