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	hartrees
Energy at 0K	-104.729508
Energy at 298.15K	-104.740450
HF Energy	-104.729508
Nuclear repulsion energy	105.687148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2667	2617	40.08
2	A₁	2632	2582	23.53
3	A₁	2532	2485	37.38
4	A₁	2178	2137	0.35
5	A₁	1578	1548	1.41
6	A₁	1122	1101	2.07
7	A₁	955	937	4.00
8	A₁	846	830	8.62
9	A₁	787	773	0.08
10	A₁	647	635	1.63
11	A₁	619	608	3.00
12	A₁	195	191	11.01
13	A₂	2236	2194	0.00
14	A₂	1499	1471	0.00
15	A₂	1031	1012	0.00
16	A₂	976	958	0.00
17	A₂	908	891	0.00
18	A₂	723	710	0.00
19	A₂	412	405	0.00
20	B₁	2662	2613	18.50
21	B₁	2206	2165	12.50
22	B₁	1520	1491	15.76
23	B₁	1034	1014	5.53
24	B₁	961	943	22.45
25	B₁	883	867	15.85
26	B₁	700	687	6.64
27	B₁	602	590	6.05
28	B₂	2635	2585	63.76
29	B₂	2532	2485	44.13
30	B₂	2210	2168	36.41
31	B₂	1347	1322	9.30
32	B₂	1110	1089	9.85
33	B₂	900	883	12.93
34	B₂	841	825	0.22
35	B₂	632	620	5.17
36	B₂	330	324	2.03

Atom	x (Å)	y (Å)	z (Å)
B1	-0.845	0.000	-0.465
B2	0.845	0.000	-0.465
B3	0.000	1.360	0.379
B4	0.000	-1.360	0.379
H5	-1.373	0.000	-1.536
H6	1.373	0.000	-1.536
H7	-1.319	0.910	0.282
H8	-1.319	-0.910	0.282
H9	1.319	-0.910	0.282
H10	1.319	0.910	0.282
H11	0.000	1.367	1.587
H12	0.000	2.421	-0.183
H13	0.000	-1.367	1.587
H14	0.000	-2.421	-0.183

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.6893	1.8100	1.8100	1.1935	2.4622	1.2700	1.2700	2.4638	2.4638	2.6064	2.5798	2.6064	2.5798
B2	1.6893		1.8100	1.8100	2.4622	1.1935	2.4638	2.4638	1.2700	1.2700	2.6064	2.5798	2.6064	2.5798
B3	1.8100	1.8100		2.7209	2.7201	2.7201	1.3973	2.6281	2.6281	1.3973	1.2084	1.2004	2.9831	3.8232
B4	1.8100	1.8100	2.7209		2.7201	2.7201	2.6281	1.3973	1.3973	2.6281	2.9831	3.8232	1.2084	1.2004
H5	1.1935	2.4622	2.7201	2.7201		2.7453	2.0338	2.0338	3.3735	3.3735	3.6746	3.0944	3.6746	3.0944
H6	2.4622	1.1935	2.7201	2.7201	2.7453		3.3735	3.3735	2.0338	2.0338	3.6746	3.0944	3.6746	3.0944
H7	1.2700	2.4638	1.3973	2.6281	2.0338	3.3735		1.8209	3.2060	2.6387	1.9108	2.0591	2.9375	3.6135
H8	1.2700	2.4638	2.6281	1.3973	2.0338	3.3735	1.8209		2.6387	3.2060	2.9375	3.6135	1.9108	2.0591
H9	2.4638	1.2700	2.6281	1.3973	3.3735	2.0338	3.2060	2.6387		1.8209	2.9375	3.6135	1.9108	2.0591
H10	2.4638	1.2700	1.3973	2.6281	3.3735	2.0338	2.6387	3.2060	1.8209		1.9108	2.0591	2.9375	3.6135
H11	2.6064	2.6064	1.2084	2.9831	3.6746	3.6746	1.9108	2.9375	2.9375	1.9108		2.0604	2.7338	4.1814
H12	2.5798	2.5798	1.2004	3.8232	3.0944	3.0944	2.0591	3.6135	3.6135	2.0591	2.0604		4.1814	4.8425
H13	2.6064	2.6064	2.9831	1.2084	3.6746	3.6746	2.9375	1.9108	1.9108	2.9375	2.7338	4.1814		2.0604
H14	2.5798	2.5798	3.8232	1.2004	3.0944	3.0944	3.6135	2.0591	2.0591	3.6135	4.1814	4.8425	2.0604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.183	B1	B2	B4	62.183
B1	B2	H6	116.254	B1	B2	H9	111.948
B1	B2	H10	111.948	B1	B3	B2	55.635
B1	B3	H7	44.371	B1	B3	H10	99.579
B1	B3	H11	118.045	B1	B3	H12	116.486
B1	B4	B2	55.635	B1	B4	H8	44.371
B1	B4	H9	99.579	B1	B4	H13	118.045
B1	B4	H14	116.486	B1	H7	B3	85.327
B1	H8	B4	85.327	B2	B1	B3	62.183
B2	B1	B4	62.183	B2	B1	H5	116.254
B2	B1	H7	111.948	B2	B1	H8	111.948
B2	B3	H7	99.579	B2	B3	H10	44.371
B2	B3	H11	118.045	B2	B3	H12	116.486
B2	B4	H8	99.579	B2	B4	H9	44.371
B2	B4	H13	118.045	B2	B4	H14	116.486
B2	H9	B4	85.327	B2	H10	B3	85.327
B3	B1	B4	97.461	B3	B1	H5	128.645
B3	B1	H7	50.301	B3	B1	H8	116.033
B3	B2	B4	97.461	B3	B2	H6	128.645
B3	B2	H9	116.033	B3	B2	H10	50.301
B4	B1	H5	128.645	B4	B1	H7	116.033
B4	B1	H8	50.301	B4	B2	H6	128.645
B4	B2	H9	50.301	B4	B2	H10	116.033
H5	B1	H7	111.253	H5	B1	H8	111.253
H6	B2	H9	111.253	H6	B2	H10	111.253
H7	B1	H8	91.595	H7	B3	H10	141.540
H7	B3	H11	94.051	H7	B3	H12	104.616
H8	B4	H9	141.540	H8	B4	H13	94.051
H8	B4	H14	104.616	H9	B2	H10	91.595
H9	B4	H13	94.051	H9	B4	H14	104.616
H10	B3	H11	94.051	H10	B3	H12	104.616
H11	B3	H12	117.605	H13	B4	H14	117.605

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

using model chemistry: LSDA/6-31G**

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	-0.138
2	B	-0.138
3	B	-0.228
4	B	-0.228
5	H	0.055
6	H	0.055
7	H	0.128
8	H	0.128
9	H	0.128
10	H	0.128
11	H	0.022
12	H	0.031
13	H	0.022
14	H	0.031

<r²>	88.431
(<r²>)^1/2	9.404

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

using model chemistry: LSDA/6-31G**

States and conformations

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