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	hartrees
Energy at 0K	-104.485520
Energy at 298.15K	-104.496470
HF Energy	-104.485520
Nuclear repulsion energy	103.286334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2770	2516	214.38
2	A₁	2756	2504	2.18
3	A₁	2674	2430	64.75
4	A₁	2332	2119	51.99
5	A₁	1641	1491	20.90
6	A₁	1263	1147	20.66
7	A₁	1107	1006	0.25
8	A₁	903	820	2.70
9	A₁	813	739	0.12
10	A₁	707	643	1.77
11	A₁	526	478	0.03
12	A₁	225	205	5.10
13	A₂	2338	2124	0.00
14	A₂	1534	1393	0.00
15	A₂	1167	1060	0.00
16	A₂	1100	1000	0.00
17	A₂	936	851	0.00
18	A₂	647	587	0.00
19	A₂	421	382	0.00
20	B₁	2753	2501	47.32
21	B₁	2311	2100	15.58
22	B₁	1623	1475	97.33
23	B₁	1196	1086	16.37
24	B₁	1088	989	87.61
25	B₁	968	879	19.76
26	B₁	837	760	0.00
27	B₁	563	512	44.40
28	B₂	2759	2507	93.10
29	B₂	2669	2425	101.13
30	B₂	2342	2127	285.34
31	B₂	1386	1259	1.63
32	B₂	1244	1131	74.01
33	B₂	1018	925	19.07
34	B₂	893	811	106.03
35	B₂	411	374	12.33
36	B₂	241	219	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	-0.872	0.000	-0.472
B2	0.872	0.000	-0.472
B3	0.000	1.439	0.406
B4	0.000	-1.439	0.406
H5	-1.379	0.000	-1.537
H6	1.379	0.000	-1.537
H7	-1.323	0.925	0.243
H8	-1.323	-0.925	0.243
H9	1.323	-0.925	0.243
H10	1.323	0.925	0.243
H11	0.000	1.465	1.594
H12	0.000	2.449	-0.213
H13	0.000	-1.465	1.594
H14	0.000	-2.449	-0.213

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7439	1.8981	1.8981	1.1801	2.4905	1.2527	1.2527	2.4866	2.4866	2.6785	2.6126	2.6785	2.6126
B2	1.7439		1.8981	1.8981	2.4905	1.1801	2.4866	2.4866	1.2527	1.2527	2.6785	2.6126	2.6785	2.6126
B3	1.8981	1.8981		2.8786	2.7840	2.7840	1.4288	2.7138	2.7138	1.4288	1.1880	1.1843	3.1380	3.9373
B4	1.8981	1.8981	2.8786		2.7840	2.7840	2.7138	1.4288	1.4288	2.7138	3.1380	3.9373	1.1880	1.1843
H5	1.1801	2.4905	2.7840	2.7840		2.7581	2.0069	2.0069	3.3653	3.3653	3.7221	3.1072	3.7221	3.1072
H6	2.4905	1.1801	2.7840	2.7840	2.7581		3.3653	3.3653	2.0069	2.0069	3.7221	3.1072	3.7221	3.1072
H7	1.2527	2.4866	1.4288	2.7138	2.0069	3.3653		1.8493	3.2280	2.6457	1.9665	2.0692	3.0474	3.6523
H8	1.2527	2.4866	2.7138	1.4288	2.0069	3.3653	1.8493		2.6457	3.2280	3.0474	3.6523	1.9665	2.0692
H9	2.4866	1.2527	2.7138	1.4288	3.3653	2.0069	3.2280	2.6457		1.8493	3.0474	3.6523	1.9665	2.0692
H10	2.4866	1.2527	1.4288	2.7138	3.3653	2.0069	2.6457	3.2280	1.8493		1.9665	2.0692	3.0474	3.6523
H11	2.6785	2.6785	1.1880	3.1380	3.7221	3.7221	1.9665	3.0474	3.0474	1.9665		2.0571	2.9305	4.3111
H12	2.6126	2.6126	1.1843	3.9373	3.1072	3.1072	2.0692	3.6523	3.6523	2.0692	2.0571		4.3111	4.8982
H13	2.6785	2.6785	3.1380	1.1880	3.7221	3.7221	3.0474	1.9665	1.9665	3.0474	2.9305	4.3111		2.0571
H14	2.6126	2.6126	3.9373	1.1843	3.1072	3.1072	3.6523	2.0692	2.0692	3.6523	4.3111	4.8982	2.0571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.653	B1	B2	B4	62.653
B1	B2	H6	115.452	B1	B2	H9	111.098
B1	B2	H10	111.098	B1	B3	B2	54.693
B1	B3	H7	41.297	B1	B3	H10	95.700
B1	B3	H11	118.622	B1	B3	H12	113.878
B1	B4	B2	54.693	B1	B4	H8	41.297
B1	B4	H9	95.700	B1	B4	H13	118.622
B1	B4	H14	113.878	B1	H7	B3	89.874
B1	H8	B4	89.874	B2	B1	B3	62.653
B2	B1	B4	62.653	B2	B1	H5	115.452
B2	B1	H7	111.098	B2	B1	H8	111.098
B2	B3	H7	95.700	B2	B3	H10	41.297
B2	B3	H11	118.622	B2	B3	H12	113.878
B2	B4	H8	95.700	B2	B4	H9	41.297
B2	B4	H13	118.622	B2	B4	H14	113.878
B2	H9	B4	89.874	B2	H10	B3	89.874
B3	B1	B4	98.626	B3	B1	H5	127.960
B3	B1	H7	48.829	B3	B1	H8	117.457
B3	B2	B4	98.626	B3	B2	H6	127.960
B3	B2	H9	117.457	B3	B2	H10	48.829
B4	B1	H5	127.960	B4	B1	H7	117.457
B4	B1	H8	48.829	B4	B2	H6	127.960
B4	B2	H9	48.829	B4	B2	H10	117.457
H5	B1	H7	111.134	H5	B1	H8	111.134
H6	B2	H9	111.134	H6	B2	H10	111.134
H7	B1	H8	95.142	H7	B3	H10	135.593
H7	B3	H11	97.011	H7	B3	H12	104.325
H8	B4	H9	135.593	H8	B4	H13	97.011
H8	B4	H14	104.325	H9	B2	H10	95.142
H9	B4	H13	97.011	H9	B4	H14	104.325
H10	B3	H11	97.011	H10	B3	H12	104.325
H11	B3	H12	120.253	H13	B4	H14	120.253

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

using model chemistry: HF/6-311G**

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	-0.159
2	B	-0.159
3	B	-0.114
4	B	-0.114
5	H	0.039
6	H	0.039
7	H	0.086
8	H	0.086
9	H	0.086
10	H	0.086
11	H	0.041
12	H	0.023
13	H	0.041
14	H	0.023

<r²>	93.325
(<r²>)^1/2	9.661

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

using model chemistry: HF/6-311G**

States and conformations

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