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	hartrees
Energy at 0K	-105.452825
Energy at 298.15K	-105.463783
HF Energy	-105.452825
Nuclear repulsion energy	104.503646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2703	2605	94.43
2	A₁	2681	2584	33.62
3	A₁	2594	2500	49.03
4	A₁	2237	2156	14.95
5	A₁	1586	1528	7.99
6	A₁	1183	1140	9.31
7	A₁	1002	965	4.01
8	A₁	852	821	0.00
9	A₁	801	772	0.74
10	A₁	674	649	0.03
11	A₁	566	546	0.03
12	A₁	200	193	7.14
13	A₂	2269	2187	0.00
14	A₂	1476	1422	0.00
15	A₂	1088	1048	0.00
16	A₂	1037	999	0.00
17	A₂	906	873	0.00
18	A₂	685	660	0.00
19	A₂	400	385	0.00
20	B₁	2695	2597	32.54
21	B₁	2241	2159	9.08
22	B₁	1539	1483	42.38
23	B₁	1106	1066	10.39
24	B₁	1017	980	48.40
25	B₁	917	884	13.92
26	B₁	753	726	0.75
27	B₁	579	558	18.88
28	B₂	2683	2585	81.30
29	B₂	2590	2496	75.75
30	B₂	2255	2173	123.12
31	B₂	1346	1297	5.39
32	B₂	1168	1126	33.44
33	B₂	935	901	17.26
34	B₂	883	851	29.75
35	B₂	486	468	9.58
36	B₂	337	324	2.60

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.472
B2	0.862	0.000	-0.472
B3	0.000	1.395	0.399
B4	0.000	-1.395	0.399
H5	-1.365	0.000	-1.542
H6	1.365	0.000	-1.542
H7	-1.325	0.920	0.250
H8	-1.325	-0.920	0.250
H9	1.325	-0.920	0.250
H10	1.325	0.920	0.250
H11	0.000	1.393	1.592
H12	0.000	2.430	-0.185
H13	0.000	-1.393	1.592
H14	0.000	-2.430	-0.185

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7242	1.8564	1.8564	1.1829	2.4713	1.2577	1.2577	2.4801	2.4801	2.6353	2.5943	2.6353	2.5943
B2	1.7242		1.8564	1.8564	2.4713	1.1829	2.4801	2.4801	1.2577	1.2577	2.6353	2.5943	2.6353	2.5943
B3	1.8564	1.8564		2.7895	2.7526	2.7526	1.4153	2.6715	2.6715	1.4153	1.1936	1.1887	3.0329	3.8692
B4	1.8564	1.8564	2.7895		2.7526	2.7526	2.6715	1.4153	1.4153	2.6715	3.0329	3.8692	1.1936	1.1887
H5	1.1829	2.4713	2.7526	2.7526		2.7306	2.0151	2.0151	3.3611	3.3611	3.6921	3.1002	3.6921	3.1002
H6	2.4713	1.1829	2.7526	2.7526	2.7306		3.3611	3.3611	2.0151	2.0151	3.6921	3.1002	3.6921	3.1002
H7	1.2577	2.4801	1.4153	2.6715	2.0151	3.3611		1.8404	3.2264	2.6501	1.9446	2.0555	2.9850	3.6290
H8	1.2577	2.4801	2.6715	1.4153	2.0151	3.3611	1.8404		2.6501	3.2264	2.9850	3.6290	1.9446	2.0555
H9	2.4801	1.2577	2.6715	1.4153	3.3611	2.0151	3.2264	2.6501		1.8404	2.9850	3.6290	1.9446	2.0555
H10	2.4801	1.2577	1.4153	2.6715	3.3611	2.0151	2.6501	3.2264	1.8404		1.9446	2.0555	2.9850	3.6290
H11	2.6353	2.6353	1.1936	3.0329	3.6921	3.6921	1.9446	2.9850	2.9850	1.9446		2.0577	2.7869	4.2165
H12	2.5943	2.5943	1.1887	3.8692	3.1002	3.1002	2.0555	3.6290	3.6290	2.0555	2.0577		4.2165	4.8602
H13	2.6353	2.6353	3.0329	1.1936	3.6921	3.6921	2.9850	1.9446	1.9446	2.9850	2.7869	4.2165		2.0577
H14	2.5943	2.5943	3.8692	1.1887	3.1002	3.1002	3.6290	2.0555	2.0555	3.6290	4.2165	4.8602	2.0577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.329	B1	B2	B4	62.329
B1	B2	H6	115.176	B1	B2	H9	111.597
B1	B2	H10	111.597	B1	B3	B2	55.342
B1	B3	H7	42.610	B1	B3	H10	97.677
B1	B3	H11	117.908	B1	B3	H12	115.094
B1	B4	B2	55.342	B1	B4	H8	42.610
B1	B4	H9	97.677	B1	B4	H13	117.908
B1	B4	H14	115.094	B1	H7	B3	87.765
B1	H8	B4	87.765	B2	B1	B3	62.329
B2	B1	B4	62.329	B2	B1	H5	115.176
B2	B1	H7	111.597	B2	B1	H8	111.597
B2	B3	H7	97.677	B2	B3	H10	42.610
B2	B3	H11	117.908	B2	B3	H12	115.094
B2	B4	H8	97.677	B2	B4	H9	42.610
B2	B4	H13	117.908	B2	B4	H14	115.094
B2	H9	B4	87.765	B2	H10	B3	87.765
B3	B1	B4	97.412	B3	B1	H5	128.454
B3	B1	H7	49.625	B3	B1	H8	116.845
B3	B2	B4	97.412	B3	B2	H6	128.454
B3	B2	H9	116.845	B3	B2	H10	49.625
B4	B1	H5	128.454	B4	B1	H7	116.845
B4	B1	H8	49.625	B4	B2	H6	128.454
B4	B2	H9	49.625	B4	B2	H10	116.845
H5	B1	H7	111.267	H5	B1	H8	111.267
H6	B2	H9	111.267	H6	B2	H10	111.267
H7	B1	H8	94.044	H7	B3	H10	138.855
H7	B3	H11	96.010	H7	B3	H12	103.914
H8	B4	H9	138.855	H8	B4	H13	96.010
H8	B4	H14	103.914	H9	B2	H10	94.044
H9	B4	H13	96.010	H9	B4	H14	103.914
H10	B3	H11	96.010	H10	B3	H12	103.914
H11	B3	H12	119.484	H13	B4	H14	119.484

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

using model chemistry: TPSSh/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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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	-0.233
2	B	-0.233
3	B	-0.244
4	B	-0.244
5	H	0.068
6	H	0.068
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146
11	H	0.067
12	H	0.049
13	H	0.067
14	H	0.049

<r²>	90.643
(<r²>)^1/2	9.521

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

using model chemistry: TPSSh/TZVP

States and conformations

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