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	hartrees
Energy at 0K	-105.190756
Energy at 298.15K	-105.201640
HF Energy	-105.190756
Nuclear repulsion energy	104.396340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2627	2600	73.10
2	A₁	2599	2572	34.84
3	A₁	2510	2484	47.17
4	A₁	2154	2132	3.98
5	A₁	1526	1510	4.55
6	A₁	1125	1114	5.49
7	A₁	957	947	6.32
8	A₁	838	829	2.32
9	A₁	789	781	0.28
10	A₁	655	648	0.88
11	A₁	584	578	0.50
12	A₁	201	199	8.75
13	A₂	2199	2177	0.00
14	A₂	1415	1400	0.00
15	A₂	1045	1034	0.00
16	A₂	988	977	0.00
17	A₂	893	883	0.00
18	A₂	691	684	0.00
19	A₂	403	399	0.00
20	B₁	2620	2593	28.31
21	B₁	2170	2148	8.88
22	B₁	1464	1449	23.68
23	B₁	1052	1041	9.05
24	B₁	975	965	28.55
25	B₁	889	880	11.21
26	B₁	720	712	2.66
27	B₁	575	569	11.60
28	B₂	2601	2574	78.84
29	B₂	2507	2481	65.03
30	B₂	2179	2157	73.91
31	B₂	1286	1273	8.36
32	B₂	1111	1100	21.21
33	B₂	895	886	20.63
34	B₂	853	844	9.82
35	B₂	556	550	6.98
36	B₂	343	339	1.75

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.462
B2	0.858	0.000	-0.462
B3	0.000	1.396	0.383
B4	0.000	-1.396	0.383
H5	-1.380	0.000	-1.534
H6	1.380	0.000	-1.534
H7	-1.334	0.918	0.280
H8	-1.334	-0.918	0.280
H9	1.334	-0.918	0.280
H10	1.334	0.918	0.280
H11	0.000	1.434	1.588
H12	0.000	2.433	-0.220
H13	0.000	-1.434	1.588
H14	0.000	-2.433	-0.220

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7152	1.8435	1.8435	1.1930	2.4812	1.2725	1.2725	2.4891	2.4891	2.6448	2.5907	2.6448	2.5907
B2	1.7152		1.8435	1.8435	2.4812	1.1930	2.4891	2.4891	1.2725	1.2725	2.6448	2.5907	2.6448	2.5907
B3	1.8435	1.8435		2.7922	2.7441	2.7441	1.4210	2.6730	2.6730	1.4210	1.2055	1.1990	3.0762	3.8759
B4	1.8435	1.8435	2.7922		2.7441	2.7441	2.6730	1.4210	1.4210	2.6730	3.0762	3.8759	1.2055	1.1990
H5	1.1930	2.4812	2.7441	2.7441		2.7596	2.0335	2.0335	3.3909	3.3909	3.7028	3.0904	3.7028	3.0904
H6	2.4812	1.1930	2.7441	2.7441	2.7596		3.3909	3.3909	2.0335	2.0335	3.7028	3.0904	3.7028	3.0904
H7	1.2725	2.4891	1.4210	2.6730	2.0335	3.3909		1.8358	3.2387	2.6682	1.9387	2.0793	3.0042	3.6407
H8	1.2725	2.4891	2.6730	1.4210	2.0335	3.3909	1.8358		2.6682	3.2387	3.0042	3.6407	1.9387	2.0793
H9	2.4891	1.2725	2.6730	1.4210	3.3909	2.0335	3.2387	2.6682		1.8358	3.0042	3.6407	1.9387	2.0793
H10	2.4891	1.2725	1.4210	2.6730	3.3909	2.0335	2.6682	3.2387	1.8358		1.9387	2.0793	3.0042	3.6407
H11	2.6448	2.6448	1.2055	3.0762	3.7028	3.7028	1.9387	3.0042	3.0042	1.9387		2.0650	2.8687	4.2686
H12	2.5907	2.5907	1.1990	3.8759	3.0904	3.0904	2.0793	3.6407	3.6407	2.0793	2.0650		4.2686	4.8652
H13	2.6448	2.6448	3.0762	1.2055	3.7028	3.7028	3.0042	1.9387	1.9387	3.0042	2.8687	4.2686		2.0650
H14	2.5907	2.5907	3.8759	1.1990	3.0904	3.0904	3.6407	2.0793	2.0793	3.6407	4.2686	4.8652	2.0650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.277	B1	B2	B4	62.277
B1	B2	H6	115.959	B1	B2	H9	111.991
B1	B2	H10	111.991	B1	B3	B2	55.447
B1	B3	H7	43.529	B1	B3	H10	98.539
B1	B3	H11	118.823	B1	B3	H12	115.106
B1	B4	B2	55.447	B1	B4	H8	43.529
B1	B4	H9	98.539	B1	B4	H13	118.823
B1	B4	H14	115.106	B1	H7	B3	86.196
B1	H8	B4	86.196	B2	B1	B3	62.277
B2	B1	B4	62.277	B2	B1	H5	115.959
B2	B1	H7	111.991	B2	B1	H8	111.991
B2	B3	H7	98.539	B2	B3	H10	43.529
B2	B3	H11	118.823	B2	B3	H12	115.106
B2	B4	H8	98.539	B2	B4	H9	43.529
B2	B4	H13	118.823	B2	B4	H14	115.106
B2	H9	B4	86.196	B2	H10	B3	86.196
B3	B1	B4	98.456	B3	B1	H5	128.004
B3	B1	H7	50.274	B3	B1	H8	116.966
B3	B2	B4	98.456	B3	B2	H6	128.004
B3	B2	H9	116.966	B3	B2	H10	50.274
B4	B1	H5	128.004	B4	B1	H7	116.966
B4	B1	H8	50.274	B4	B2	H6	128.004
B4	B2	H9	50.274	B4	B2	H10	116.966
H5	B1	H7	111.095	H5	B1	H8	111.095
H6	B2	H9	111.095	H6	B2	H10	111.095
H7	B1	H8	92.333	H7	B3	H10	139.717
H7	B3	H11	94.791	H7	B3	H12	104.731
H8	B4	H9	139.717	H8	B4	H13	94.791
H8	B4	H14	104.731	H9	B2	H10	92.333
H9	B4	H13	94.791	H9	B4	H14	104.731
H10	B3	H11	94.791	H10	B3	H12	104.731
H11	B3	H12	118.360	H13	B4	H14	118.360

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

using model chemistry: PBEPBE/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	-0.409
2	B	-0.409
3	B	-0.510
4	B	-0.510
5	H	0.137
6	H	0.137
7	H	0.252
8	H	0.252
9	H	0.252
10	H	0.252
11	H	0.150
12	H	0.127
13	H	0.150
14	H	0.127

<r²>	91.049
(<r²>)^1/2	9.542

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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