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	hartrees
Energy at 0K	-105.359889
Energy at 298.15K	-105.370908
HF Energy	-105.359889
Nuclear repulsion energy	104.623854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2680	2580	90.19
2	A₁	2656	2557	37.56
3	A₁	2567	2471	50.11
4	A₁	2215	2133	8.11
5	A₁	1566	1507	7.44
6	A₁	1164	1120	7.50
7	A₁	993	956	5.46
8	A₁	857	825	0.74
9	A₁	808	778	0.64
10	A₁	674	649	0.28
11	A₁	584	562	0.19
12	A₁	209	201	8.09
13	A₂	2256	2172	0.00
14	A₂	1457	1403	0.00
15	A₂	1078	1037	0.00
16	A₂	1023	985	0.00
17	A₂	917	883	0.00
18	A₂	697	671	0.00
19	A₂	414	398	0.00
20	B₁	2672	2572	32.40
21	B₁	2223	2140	10.55
22	B₁	1513	1457	34.69
23	B₁	1091	1050	11.59
24	B₁	1007	970	36.74
25	B₁	916	882	11.49
26	B₁	751	723	1.91
27	B₁	583	562	15.80
28	B₂	2657	2558	80.15
29	B₂	2563	2468	75.21
30	B₂	2240	2157	100.17
31	B₂	1319	1270	5.14
32	B₂	1149	1106	29.74
33	B₂	929	894	20.49
34	B₂	877	844	21.21
35	B₂	535	515	8.11
36	B₂	354	341	2.25

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.461
B2	0.857	0.000	-0.461
B3	0.000	1.398	0.385
B4	0.000	-1.398	0.385
H5	-1.375	0.000	-1.528
H6	1.375	0.000	-1.528
H7	-1.327	0.915	0.272
H8	-1.327	-0.915	0.272
H9	1.327	-0.915	0.272
H10	1.327	0.915	0.272
H11	0.000	1.439	1.582
H12	0.000	2.424	-0.221
H13	0.000	-1.439	1.582
H14	0.000	-2.424	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7139	1.8452	1.8452	1.1860	2.4737	1.2628	1.2628	2.4787	2.4787	2.6413	2.5824	2.6413	2.5824
B2	1.7139		1.8452	1.8452	2.4737	1.1860	2.4787	2.4787	1.2628	1.2628	2.6413	2.5824	2.6413	2.5824
B3	1.8452	1.8452		2.7966	2.7392	2.7392	1.4171	2.6690	2.6690	1.4171	1.1975	1.1918	3.0795	3.8704
B4	1.8452	1.8452	2.7966		2.7392	2.7392	2.6690	1.4171	1.4171	2.6690	3.0795	3.8704	1.1975	1.1918
H5	1.1860	2.4737	2.7392	2.7392		2.7496	2.0194	2.0194	3.3729	3.3729	3.6918	3.0778	3.6918	3.0778
H6	2.4737	1.1860	2.7392	2.7392	2.7496		3.3729	3.3729	2.0194	2.0194	3.6918	3.0778	3.6918	3.0778
H7	1.2628	2.4787	1.4171	2.6690	2.0194	3.3729		1.8291	3.2235	2.6543	1.9369	2.0699	3.0027	3.6267
H8	1.2628	2.4787	2.6690	1.4171	2.0194	3.3729	1.8291		2.6543	3.2235	3.0027	3.6267	1.9369	2.0699
H9	2.4787	1.2628	2.6690	1.4171	3.3729	2.0194	3.2235	2.6543		1.8291	3.0027	3.6267	1.9369	2.0699
H10	2.4787	1.2628	1.4171	2.6690	3.3729	2.0194	2.6543	3.2235	1.8291		1.9369	2.0699	3.0027	3.6267
H11	2.6413	2.6413	1.1975	3.0795	3.6918	3.6918	1.9369	3.0027	3.0027	1.9369		2.0549	2.8782	4.2636
H12	2.5824	2.5824	1.1918	3.8704	3.0778	3.0778	2.0699	3.6267	3.6267	2.0699	2.0549		4.2636	4.8486
H13	2.6413	2.6413	3.0795	1.1975	3.6918	3.6918	3.0027	1.9369	1.9369	3.0027	2.8782	4.2636		2.0549
H14	2.5824	2.5824	3.8704	1.1918	3.0778	3.0778	3.6267	2.0699	2.0699	3.6267	4.2636	4.8486	2.0549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.327	B1	B2	B4	62.327
B1	B2	H6	115.890	B1	B2	H9	111.863
B1	B2	H10	111.863	B1	B3	B2	55.346
B1	B3	H7	43.103	B1	B3	H10	98.035
B1	B3	H11	118.935	B1	B3	H12	114.782
B1	B4	B2	55.346	B1	B4	H8	43.103
B1	B4	H9	98.035	B1	B4	H13	118.935
B1	B4	H14	114.782	B1	H7	B3	86.828
B1	H8	B4	86.828	B2	B1	B3	62.327
B2	B1	B4	62.327	B2	B1	H5	115.890
B2	B1	H7	111.863	B2	B1	H8	111.863
B2	B3	H7	98.035	B2	B3	H10	43.103
B2	B3	H11	118.935	B2	B3	H12	114.782
B2	B4	H8	98.035	B2	B4	H9	43.103
B2	B4	H13	118.935	B2	B4	H14	114.782
B2	H9	B4	86.828	B2	H10	B3	86.828
B3	B1	B4	98.546	B3	B1	H5	127.956
B3	B1	H7	50.069	B3	B1	H8	117.121
B3	B2	B4	98.546	B3	B2	H6	127.956
B3	B2	H9	117.121	B3	B2	H10	50.069
B4	B1	H5	127.956	B4	B1	H7	117.121
B4	B1	H8	50.069	B4	B2	H6	127.956
B4	B2	H9	50.069	B4	B2	H10	117.121
H5	B1	H7	111.068	H5	B1	H8	111.068
H6	B2	H9	111.068	H6	B2	H10	111.068
H7	B1	H8	92.815	H7	B3	H10	138.961
H7	B3	H11	95.231	H7	B3	H12	104.677
H8	B4	H9	138.961	H8	B4	H13	95.231
H8	B4	H14	104.677	H9	B2	H10	92.815
H9	B4	H13	95.231	H9	B4	H14	104.677
H10	B3	H11	95.231	H10	B3	H12	104.677
H11	B3	H12	118.637	H13	B4	H14	118.637

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

using model chemistry: B3PW91/6-311G*

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	-0.429
2	B	-0.429
3	B	-0.522
4	B	-0.522
5	H	0.145
6	H	0.145
7	H	0.256
8	H	0.256
9	H	0.256
10	H	0.256
11	H	0.161
12	H	0.133
13	H	0.161
14	H	0.133

<r²>	90.667
(<r²>)^1/2	9.522

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

using model chemistry: B3PW91/6-311G*

States and conformations

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