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	hartrees
Energy at 0K	-105.310994
Energy at 298.15K	-105.322104
HF Energy	-105.310994
Nuclear repulsion energy	104.281199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2736	2620	90.63
2	A₁	2710	2595	34.59
3	A₁	2614	2503	47.02
4	A₁	2230	2136	12.88
5	A₁	1550	1484	7.70
6	A₁	1182	1132	6.52
7	A₁	1014	971	6.03
8	A₁	870	833	0.01
9	A₁	822	787	0.51
10	A₁	701	671	0.10
11	A₁	590	565	0.31
12	A₁	220	210	7.36
13	A₂	2273	2177	0.00
14	A₂	1447	1386	0.00
15	A₂	1104	1057	0.00
16	A₂	1048	1004	0.00
17	A₂	921	882	0.00
18	A₂	690	661	0.00
19	A₂	424	406	0.00
20	B₁	2727	2612	29.31
21	B₁	2237	2143	10.51
22	B₁	1506	1442	32.01
23	B₁	1122	1075	3.33
24	B₁	1032	988	41.26
25	B₁	932	892	19.87
26	B₁	755	723	0.34
27	B₁	592	567	23.62
28	B₂	2712	2597	75.49
29	B₂	2610	2500	68.20
30	B₂	2257	2162	105.16
31	B₂	1316	1260	6.17
32	B₂	1165	1116	22.62
33	B₂	939	899	7.14
34	B₂	889	851	37.03
35	B₂	516	494	6.80
36	B₂	382	366	3.24

Atom	x (Å)	y (Å)	z (Å)
B1	-0.859	0.000	-0.465
B2	0.859	0.000	-0.465
B3	0.000	1.404	0.394
B4	0.000	-1.404	0.394
H5	-1.360	0.000	-1.538
H6	1.360	0.000	-1.538
H7	-1.335	0.927	0.248
H8	-1.335	-0.927	0.248
H9	1.335	-0.927	0.248
H10	1.335	0.927	0.248
H11	0.000	1.421	1.590
H12	0.000	2.440	-0.193
H13	0.000	-1.421	1.590
H14	0.000	-2.440	-0.193

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7182	1.8569	1.8569	1.1838	2.4644	1.2620	1.2620	2.4857	2.4857	2.6421	2.6015	2.6421	2.6015
B2	1.7182		1.8569	1.8569	2.4644	1.1838	2.4857	2.4857	1.2620	1.2620	2.6421	2.6015	2.6421	2.6015
B3	1.8569	1.8569		2.8090	2.7480	2.7480	1.4251	2.6902	2.6902	1.4251	1.1964	1.1905	3.0685	3.8894
B4	1.8569	1.8569	2.8090		2.7480	2.7480	2.6902	1.4251	1.4251	2.6902	3.0685	3.8894	1.1964	1.1905
H5	1.1838	2.4644	2.7480	2.7480		2.7192	2.0116	2.0116	3.3623	3.3623	3.6948	3.1004	3.6948	3.1004
H6	2.4644	1.1838	2.7480	2.7480	2.7192		3.3623	3.3623	2.0116	2.0116	3.6948	3.1004	3.6948	3.1004
H7	1.2620	2.4857	1.4251	2.6902	2.0116	3.3623		1.8535	3.2496	2.6692	1.9565	2.0655	3.0161	3.6487
H8	1.2620	2.4857	2.6902	1.4251	2.0116	3.3623	1.8535		2.6692	3.2496	3.0161	3.6487	1.9565	2.0655
H9	2.4857	1.2620	2.6902	1.4251	3.3623	2.0116	3.2496	2.6692		1.8535	3.0161	3.6487	1.9565	2.0655
H10	2.4857	1.2620	1.4251	2.6902	3.3623	2.0116	2.6692	3.2496	1.8535		1.9565	2.0655	3.0161	3.6487
H11	2.6421	2.6421	1.1964	3.0685	3.6948	3.6948	1.9565	3.0161	3.0161	1.9565		2.0537	2.8426	4.2534
H12	2.6015	2.6015	1.1905	3.8894	3.1004	3.1004	2.0655	3.6487	3.6487	2.0655	2.0537		4.2534	4.8808
H13	2.6421	2.6421	3.0685	1.1964	3.6948	3.6948	3.0161	1.9565	1.9565	3.0161	2.8426	4.2534		2.0537
H14	2.6015	2.6015	3.8894	1.1905	3.1004	3.1004	3.6487	2.0655	2.0655	3.6487	4.2534	4.8808	2.0537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.441	B1	B2	B4	62.441
B1	B2	H6	115.012	B1	B2	H9	112.136
B1	B2	H10	112.136	B1	B3	B2	55.117
B1	B3	H7	42.752	B1	B3	H10	97.601
B1	B3	H11	118.230	B1	B3	H12	115.482
B1	B4	B2	55.117	B1	B4	H8	42.752
B1	B4	H9	97.601	B1	B4	H13	118.230
B1	B4	H14	115.482	B1	H7	B3	87.204
B1	H8	B4	87.204	B2	B1	B3	62.441
B2	B1	B4	62.441	B2	B1	H5	115.012
B2	B1	H7	112.136	B2	B1	H8	112.136
B2	B3	H7	97.601	B2	B3	H10	42.752
B2	B3	H11	118.230	B2	B3	H12	115.482
B2	B4	H8	97.601	B2	B4	H9	42.752
B2	B4	H13	118.230	B2	B4	H14	115.482
B2	H9	B4	87.204	B2	H10	B3	87.204
B3	B1	B4	98.291	B3	B1	H5	127.929
B3	B1	H7	50.044	B3	B1	H8	117.950
B3	B2	B4	98.291	B3	B2	H6	127.929
B3	B2	H9	117.950	B3	B2	H10	50.044
B4	B1	H5	127.929	B4	B1	H7	117.950
B4	B1	H8	50.044	B4	B2	H6	127.929
B4	B2	H9	50.044	B4	B2	H10	117.950
H5	B1	H7	110.628	H5	B1	H8	110.628
H6	B2	H9	110.628	H6	B2	H10	110.628
H7	B1	H8	94.506	H7	B3	H10	138.953
H7	B3	H11	96.160	H7	B3	H12	103.953
H8	B4	H9	138.953	H8	B4	H13	96.160
H8	B4	H14	103.953	H9	B2	H10	94.506
H9	B4	H13	96.160	H9	B4	H14	103.953
H10	B3	H11	96.160	H10	B3	H12	103.953
H11	B3	H12	118.723	H13	B4	H14	118.723

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

using model chemistry: B3PW91/6-31G

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	-0.190
2	B	-0.190
3	B	-0.186
4	B	-0.186
5	H	0.066
6	H	0.066
7	H	0.117
8	H	0.117
9	H	0.117
10	H	0.117
11	H	0.038
12	H	0.037
13	H	0.038
14	H	0.037

<r²>	90.980
(<r²>)^1/2	9.538

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

using model chemistry: B3PW91/6-31G

States and conformations

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