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	hartrees
Energy at 0K	-105.295653
Energy at 298.15K	-105.306464
HF Energy	-105.295653
Nuclear repulsion energy	103.788831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2633	2623	93.72
2	A₁	2613	2603	30.13
3	A₁	2529	2519	49.36
4	A₁	2155	2146	11.52
5	A₁	1510	1504	5.89
6	A₁	1147	1143	8.41
7	A₁	969	966	6.02
8	A₁	833	830	0.00
9	A₁	780	777	0.77
10	A₁	658	656	0.20
11	A₁	538	536	0.08
12	A₁	213	212	7.78
13	A₂	2181	2173	0.00
14	A₂	1393	1388	0.00
15	A₂	1050	1046	0.00
16	A₂	1005	1001	0.00
17	A₂	879	875	0.00
18	A₂	655	653	0.00
19	A₂	406	405	0.00
20	B₁	2626	2615	31.43
21	B₁	2165	2156	9.14
22	B₁	1464	1458	32.50
23	B₁	1069	1065	11.65
24	B₁	977	974	41.53
25	B₁	891	887	13.77
26	B₁	738	735	0.94
27	B₁	546	544	17.96
28	B₂	2615	2605	78.12
29	B₂	2525	2515	71.99
30	B₂	2167	2158	114.06
31	B₂	1276	1271	9.98
32	B₂	1129	1124	29.72
33	B₂	911	907	18.96
34	B₂	858	854	28.17
35	B₂	452	450	9.23
36	B₂	347	346	0.67

Atom	x (Å)	y (Å)	z (Å)
B1	-0.864	0.000	-0.464
B2	0.864	0.000	-0.464
B3	0.000	1.423	0.391
B4	0.000	-1.423	0.391
H5	-1.380	0.000	-1.532
H6	1.380	0.000	-1.532
H7	-1.325	0.924	0.267
H8	-1.325	-0.924	0.267
H9	1.325	-0.924	0.267
H10	1.325	0.924	0.267
H11	0.000	1.466	1.588
H12	0.000	2.444	-0.224
H13	0.000	-1.466	1.588
H14	0.000	-2.444	-0.224

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7272	1.8715	1.8715	1.1865	2.4850	1.2648	1.2648	2.4852	2.4852	2.6654	2.6030	2.6654	2.6030
B2	1.7272		1.8715	1.8715	2.4850	1.1865	2.4852	2.4852	1.2648	1.2648	2.6654	2.6030	2.6654	2.6030
B3	1.8715	1.8715		2.8467	2.7621	2.7621	1.4213	2.6981	2.6981	1.4213	1.1974	1.1916	3.1275	3.9158
B4	1.8715	1.8715	2.8467		2.7621	2.7621	2.6981	1.4213	1.4213	2.6981	3.1275	3.9158	1.1974	1.1916
H5	1.1865	2.4850	2.7621	2.7621		2.7602	2.0228	2.0228	3.3772	3.3772	3.7131	3.0963	3.7131	3.0963
H6	2.4850	1.1865	2.7621	2.7621	2.7602		3.3772	3.3772	2.0228	2.0228	3.7131	3.0963	3.7131	3.0963
H7	1.2648	2.4852	1.4213	2.6981	2.0228	3.3772		1.8477	3.2303	2.6497	1.9479	2.0752	3.0352	3.6520
H8	1.2648	2.4852	2.6981	1.4213	2.0228	3.3772	1.8477		2.6497	3.2303	3.0352	3.6520	1.9479	2.0752
H9	2.4852	1.2648	2.6981	1.4213	3.3772	2.0228	3.2303	2.6497		1.8477	3.0352	3.6520	1.9479	2.0752
H10	2.4852	1.2648	1.4213	2.6981	3.3772	2.0228	2.6497	3.2303	1.8477		1.9479	2.0752	3.0352	3.6520
H11	2.6654	2.6654	1.1974	3.1275	3.7131	3.7131	1.9479	3.0352	3.0352	1.9479		2.0588	2.9323	4.3094
H12	2.6030	2.6030	1.1916	3.9158	3.0963	3.0963	2.0752	3.6520	3.6520	2.0752	2.0588		4.3094	4.8876
H13	2.6654	2.6654	3.1275	1.1974	3.7131	3.7131	3.0352	1.9479	1.9479	3.0352	2.9323	4.3094		2.0588
H14	2.6030	2.6030	3.9158	1.1916	3.0963	3.0963	3.6520	2.0752	2.0752	3.6520	4.3094	4.8876	2.0588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.520	B1	B2	B4	62.520
B1	B2	H6	115.805	B1	B2	H9	111.387
B1	B2	H10	111.387	B1	B3	B2	54.959
B1	B3	H7	42.491	B1	B3	H10	97.055
B1	B3	H11	118.928	B1	B3	H12	114.545
B1	B4	B2	54.959	B1	B4	H8	42.491
B1	B4	H9	97.055	B1	B4	H13	118.928
B1	B4	H14	114.545	B1	H7	B3	88.129
B1	H8	B4	88.129	B2	B1	B3	62.520
B2	B1	B4	62.520	B2	B1	H5	115.805
B2	B1	H7	111.387	B2	B1	H8	111.387
B2	B3	H7	97.055	B2	B3	H10	42.491
B2	B3	H11	118.928	B2	B3	H12	114.545
B2	B4	H8	97.055	B2	B4	H9	42.491
B2	B4	H13	118.928	B2	B4	H14	114.545
B2	H9	B4	88.129	B2	H10	B3	88.129
B3	B1	B4	99.021	B3	B1	H5	127.744
B3	B1	H7	49.380	B3	B1	H8	117.382
B3	B2	B4	99.021	B3	B2	H6	127.744
B3	B2	H9	117.382	B3	B2	H10	49.380
B4	B1	H5	127.744	B4	B1	H7	117.382
B4	B1	H8	49.380	B4	B2	H6	127.744
B4	B2	H9	49.380	B4	B2	H10	117.382
H5	B1	H7	111.174	H5	B1	H8	111.174
H6	B2	H9	111.174	H6	B2	H10	111.174
H7	B1	H8	93.838	H7	B3	H10	137.531
H7	B3	H11	95.743	H7	B3	H12	104.818
H8	B4	H9	137.531	H8	B4	H13	95.743
H8	B4	H14	104.818	H9	B2	H10	93.838
H9	B4	H13	95.743	H9	B4	H14	104.818
H10	B3	H11	95.743	H10	B3	H12	104.818
H11	B3	H12	119.041	H13	B4	H14	119.041

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

using model chemistry: BLYP/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	-0.113
2	B	-0.113
3	B	-0.181
4	B	-0.181
5	H	0.036
6	H	0.036
7	H	0.106
8	H	0.106
9	H	0.106
10	H	0.106
11	H	0.026
12	H	0.019
13	H	0.026
14	H	0.019

<r²>	92.390
(<r²>)^1/2	9.612

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

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

States and conformations

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