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	hartrees
Energy at 0K	-105.244781
Energy at 298.15K	-105.255835
HF Energy	-105.244781
Nuclear repulsion energy	104.847240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2697	2588	70.98
2	A₁	2665	2557	38.41
3	A₁	2575	2470	48.34
4	A₁	2222	2132	6.17
5	A₁	1580	1515	6.00
6	A₁	1162	1115	6.50
7	A₁	979	939	5.63
8	A₁	856	821	1.56
9	A₁	806	773	0.45
10	A₁	670	643	0.63
11	A₁	594	570	0.28
12	A₁	206	198	8.52
13	A₂	2266	2174	0.00
14	A₂	1488	1427	0.00
15	A₂	1066	1022	0.00
16	A₂	1021	979	0.00
17	A₂	920	882	0.00
18	A₂	706	677	0.00
19	A₂	414	398	0.00
20	B₁	2690	2581	29.48
21	B₁	2233	2143	13.74
22	B₁	1533	1470	31.16
23	B₁	1078	1034	13.58
24	B₁	995	955	33.31
25	B₁	912	875	13.40
26	B₁	741	711	2.42
27	B₁	592	568	14.39
28	B₂	2667	2559	78.29
29	B₂	2572	2467	67.12
30	B₂	2247	2156	84.49
31	B₂	1336	1281	4.55
32	B₂	1148	1101	26.68
33	B₂	924	886	23.87
34	B₂	878	843	12.34
35	B₂	558	535	8.04
36	B₂	350	336	2.63

Atom	x (Å)	y (Å)	z (Å)
B1	-0.857	0.000	-0.462
B2	0.857	0.000	-0.462
B3	0.000	1.390	0.385
B4	0.000	-1.390	0.385
H5	-1.368	0.000	-1.531
H6	1.368	0.000	-1.531
H7	-1.325	0.913	0.274
H8	-1.325	-0.913	0.274
H9	1.325	-0.913	0.274
H10	1.325	0.913	0.274
H11	0.000	1.421	1.582
H12	0.000	2.422	-0.212
H13	0.000	-1.421	1.582
H14	0.000	-2.422	-0.212

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7132	1.8395	1.8395	1.1850	2.4684	1.2630	1.2630	2.4767	2.4767	2.6330	2.5811	2.6330	2.5811
B2	1.7132		1.8395	1.8395	2.4684	1.1850	2.4767	2.4767	1.2630	1.2630	2.6330	2.5811	2.6330	2.5811
B3	1.8395	1.8395		2.7806	2.7340	2.7340	1.4122	2.6594	2.6594	1.4122	1.1983	1.1918	3.0556	3.8587
B4	1.8395	1.8395	2.7806		2.7340	2.7340	2.6594	1.4122	1.4122	2.6594	3.0556	3.8587	1.1983	1.1918
H5	1.1850	2.4684	2.7340	2.7340		2.7369	2.0235	2.0235	3.3682	3.3682	3.6857	3.0785	3.6857	3.0785
H6	2.4684	1.1850	2.7340	2.7340	2.7369		3.3682	3.3682	2.0235	2.0235	3.6857	3.0785	3.6857	3.0785
H7	1.2630	2.4767	1.4122	2.6594	2.0235	3.3682		1.8263	3.2176	2.6491	1.9296	2.0658	2.9854	3.6213
H8	1.2630	2.4767	2.6594	1.4122	2.0235	3.3682	1.8263		2.6491	3.2176	2.9854	3.6213	1.9296	2.0658
H9	2.4767	1.2630	2.6594	1.4122	3.3682	2.0235	3.2176	2.6491		1.8263	2.9854	3.6213	1.9296	2.0658
H10	2.4767	1.2630	1.4122	2.6594	3.3682	2.0235	2.6491	3.2176	1.8263		1.9296	2.0658	2.9854	3.6213
H11	2.6330	2.6330	1.1983	3.0556	3.6857	3.6857	1.9296	2.9854	2.9854	1.9296		2.0551	2.8415	4.2411
H12	2.5811	2.5811	1.1918	3.8587	3.0785	3.0785	2.0658	3.6213	3.6213	2.0658	2.0551		4.2411	4.8439
H13	2.6330	2.6330	3.0556	1.1983	3.6857	3.6857	2.9854	1.9296	1.9296	2.9854	2.8415	4.2411		2.0551
H14	2.5811	2.5811	3.8587	1.1918	3.0785	3.0785	3.6213	2.0658	2.0658	3.6213	4.2411	4.8439	2.0551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.245	B1	B2	B4	62.245
B1	B2	H6	115.590	B1	B2	H9	111.746
B1	B2	H10	111.746	B1	B3	B2	55.509
B1	B3	H7	43.273	B1	B3	H10	98.365
B1	B3	H11	118.644	B1	B3	H12	115.069
B1	B4	B2	55.509	B1	B4	H8	43.273
B1	B4	H9	98.365	B1	B4	H13	118.644
B1	B4	H14	115.069	B1	H7	B3	86.692
B1	H8	B4	86.692	B2	B1	B3	62.245
B2	B1	B4	62.245	B2	B1	H5	115.590
B2	B1	H7	111.746	B2	B1	H8	111.746
B2	B3	H7	98.365	B2	B3	H10	43.273
B2	B3	H11	118.644	B2	B3	H12	115.069
B2	B4	H8	98.365	B2	B4	H9	43.273
B2	B4	H13	118.644	B2	B4	H14	115.069
B2	H9	B4	86.692	B2	H10	B3	86.692
B3	B1	B4	98.193	B3	B1	H5	128.047
B3	B1	H7	50.035	B3	B1	H8	116.779
B3	B2	B4	98.193	B3	B2	H6	128.047
B3	B2	H9	116.779	B3	B2	H10	50.035
B4	B1	H5	128.047	B4	B1	H7	116.779
B4	B1	H8	50.035	B4	B2	H6	128.047
B4	B2	H9	50.035	B4	B2	H10	116.779
H5	B1	H7	111.463	H5	B1	H8	111.463
H6	B2	H9	111.463	H6	B2	H10	111.463
H7	B1	H8	92.603	H7	B3	H10	139.419
H7	B3	H11	94.969	H7	B3	H12	104.677
H8	B4	H9	139.419	H8	B4	H13	94.969
H8	B4	H14	104.677	H9	B2	H10	92.603
H9	B4	H13	94.969	H9	B4	H14	104.677
H10	B3	H11	94.969	H10	B3	H12	104.677
H11	B3	H12	118.595	H13	B4	H14	118.595

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

using model chemistry: PBE1PBE/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	-0.237
2	B	-0.237
3	B	-0.307
4	B	-0.307
5	H	0.075
6	H	0.075
7	H	0.162
8	H	0.162
9	H	0.162
10	H	0.162
11	H	0.080
12	H	0.065
13	H	0.080
14	H	0.065

<r²>	90.246
(<r²>)^1/2	9.500

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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