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	hartrees
Energy at 0K	-103.951690
Energy at 298.15K	-103.962590
HF Energy	-103.951690
Nuclear repulsion energy	104.537905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	2808	0.03
2	A₁	3149	2778	1.15
3	A₁	3032	2675	0.46
4	A₁	2451	2162	5.01
5	A₁	1662	1466	14.69
6	A₁	1330	1173	10.88
7	A₁	1144	1009	12.85
8	A₁	958	845	0.04
9	A₁	894	788	1.24
10	A₁	766	676	1.25
11	A₁	613	541	0.11
12	A₁	236	208	10.62
13	A₂	2499	2204	0.00
14	A₂	1509	1331	0.00
15	A₂	1196	1055	0.00
16	A₂	1155	1019	0.00
17	A₂	962	849	0.00
18	A₂	729	643	0.00
19	A₂	433	382	0.00
20	B₁	3147	2776	0.15
21	B₁	2460	2170	141.27
22	B₁	1596	1408	14.17
23	B₁	1234	1088	13.52
24	B₁	1128	995	72.06
25	B₁	1028	907	33.80
26	B₁	811	716	0.00
27	B₁	629	555	24.43
28	B₂	3184	2808	0.77
29	B₂	3033	2675	3.22
30	B₂	2495	2201	41.96
31	B₂	1428	1260	1.66
32	B₂	1315	1160	39.07
33	B₂	1018	898	4.68
34	B₂	949	837	66.66
35	B₂	494	435	11.10
36	B₂	410	361	1.93

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.470
B2	0.857	0.000	-0.470
B3	0.000	1.407	0.403
B4	0.000	-1.407	0.403
H5	-1.331	0.000	-1.528
H6	1.331	0.000	-1.528
H7	-1.355	0.921	0.229
H8	-1.355	-0.921	0.229
H9	1.355	-0.921	0.229
H10	1.355	0.921	0.229
H11	0.000	1.395	1.571
H12	0.000	2.421	-0.169
H13	0.000	-1.395	1.571
H14	0.000	-2.421	-0.169

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7140	1.8642	1.8642	1.1592	2.4304	1.2587	1.2587	2.4957	2.4957	2.6168	2.5857	2.6168	2.5857
B2	1.7140		1.8642	1.8642	2.4304	1.1592	2.4957	2.4957	1.2587	1.2587	2.6168	2.5857	2.6168	2.5857
B3	1.8642	1.8642		2.8132	2.7347	2.7347	1.4497	2.6985	2.6985	1.4497	1.1682	1.1645	3.0356	3.8700
B4	1.8642	1.8642	2.8132		2.7347	2.7347	2.6985	1.4497	1.4497	2.6985	3.0356	3.8700	1.1682	1.1645
H5	1.1592	2.4304	2.7347	2.7347		2.6621	1.9838	1.9838	3.3389	3.3389	3.6500	3.0787	3.6500	3.0787
H6	2.4304	1.1592	2.7347	2.7347	2.6621		3.3389	3.3389	1.9838	1.9838	3.6500	3.0787	3.6500	3.0787
H7	1.2587	2.4957	1.4497	2.6985	1.9838	3.3389		1.8415	3.2760	2.7094	1.9651	2.0601	3.0000	3.6277
H8	1.2587	2.4957	2.6985	1.4497	1.9838	3.3389	1.8415		2.7094	3.2760	3.0000	3.6277	1.9651	2.0601
H9	2.4957	1.2587	2.6985	1.4497	3.3389	1.9838	3.2760	2.7094		1.8415	3.0000	3.6277	1.9651	2.0601
H10	2.4957	1.2587	1.4497	2.6985	3.3389	1.9838	2.7094	3.2760	1.8415		1.9651	2.0601	3.0000	3.6277
H11	2.6168	2.6168	1.1682	3.0356	3.6500	3.6500	1.9651	3.0000	3.0000	1.9651		2.0202	2.7903	4.1942
H12	2.5857	2.5857	1.1645	3.8700	3.0787	3.0787	2.0601	3.6277	3.6277	2.0601	2.0202		4.1942	4.8417
H13	2.6168	2.6168	3.0356	1.1682	3.6500	3.6500	3.0000	1.9651	1.9651	3.0000	2.7903	4.1942		2.0202
H14	2.5857	2.5857	3.8700	1.1645	3.0787	3.0787	3.6277	2.0601	2.0601	3.6277	4.1942	4.8417	2.0202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.630	B1	B2	B4	62.630
B1	B2	H6	114.137	B1	B2	H9	113.291
B1	B2	H10	113.291	B1	B3	B2	54.739
B1	B3	H7	42.381	B1	B3	H10	96.923
B1	B3	H11	117.445	B1	B3	H12	115.281
B1	B4	B2	54.739	B1	B4	H8	42.381
B1	B4	H9	96.923	B1	B4	H13	117.445
B1	B4	H14	115.281	B1	H7	B3	86.693
B1	H8	B4	86.693	B2	B1	B3	62.630
B2	B1	B4	62.630	B2	B1	H5	114.137
B2	B1	H7	113.291	B2	B1	H8	113.291
B2	B3	H7	96.923	B2	B3	H10	42.381
B2	B3	H11	117.445	B2	B3	H12	115.281
B2	B4	H8	96.923	B2	B4	H9	42.381
B2	B4	H13	117.445	B2	B4	H14	115.281
B2	H9	B4	86.693	B2	H10	B3	86.693
B3	B1	B4	97.970	B3	B1	H5	127.978
B3	B1	H7	50.927	B3	B1	H8	118.271
B3	B2	B4	97.970	B3	B2	H6	127.978
B3	B2	H9	118.271	B3	B2	H10	50.927
B4	B1	H5	127.978	B4	B1	H7	118.271
B4	B1	H8	50.927	B4	B2	H6	127.978
B4	B2	H9	50.927	B4	B2	H10	118.271
H5	B1	H7	110.193	H5	B1	H8	110.193
H6	B2	H9	110.193	H6	B2	H10	110.193
H7	B1	H8	94.031	H7	B3	H10	138.294
H7	B3	H11	96.701	H7	B3	H12	103.470
H8	B4	H9	138.294	H8	B4	H13	96.701
H8	B4	H14	103.470	H9	B2	H10	94.031
H9	B4	H13	96.701	H9	B4	H14	103.470
H10	B3	H11	96.701	H10	B3	H12	103.470
H11	B3	H12	119.992	H13	B4	H14	119.992

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

using model chemistry: PBE1PBE/STO-3G

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	-0.122
2	B	-0.122
3	B	-0.022
4	B	-0.022
5	H	0.009
6	H	0.009
7	H	0.076
8	H	0.076
9	H	0.076
10	H	0.076
11	H	-0.009
12	H	-0.008
13	H	-0.009
14	H	-0.008

<r²>	89.461
(<r²>)^1/2	9.458

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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