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	hartrees
Energy at 0K	-105.238654
Energy at 298.15K	-105.249711
HF Energy	-105.074149
Nuclear repulsion energy	104.529061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2744	2620	75.26
2	A₁	2722	2599	31.06
3	A₁	2632	2513	44.06
4	A₁	2262	2160	12.83
5	A₁	1590	1518	7.89
6	A₁	1198	1144	10.08
7	A₁	1011	966	4.77
8	A₁	864	825	0.03
9	A₁	808	771	1.18
10	A₁	682	651	0.01
11	A₁	573	547	0.09
12	A₁	218	208	7.92
13	A₂	2295	2192	0.00
14	A₂	1486	1419	0.00
15	A₂	1094	1045	0.00
16	A₂	1049	1002	0.00
17	A₂	922	881	0.00
18	A₂	688	657	0.00
19	A₂	419	400	0.00
20	B₁	2736	2613	26.89
21	B₁	2265	2163	13.62
22	B₁	1547	1478	45.51
23	B₁	1111	1061	18.11
24	B₁	1025	979	58.91
25	B₁	926	885	14.63
26	B₁	767	733	1.31
27	B₁	580	554	19.56
28	B₂	2723	2601	67.32
29	B₂	2628	2510	74.26
30	B₂	2282	2179	121.19
31	B₂	1346	1285	5.64
32	B₂	1182	1128	37.78
33	B₂	953	910	18.39
34	B₂	893	853	30.03
35	B₂	491	469	9.99
36	B₂	361	344	2.16

Atom	x (Å)	y (Å)	z (Å)
B1	-0.862	0.000	-0.466
B2	0.862	0.000	-0.466
B3	0.000	1.403	0.392
B4	0.000	-1.403	0.392
H5	-1.371	0.000	-1.531
H6	1.371	0.000	-1.531
H7	-1.319	0.914	0.261
H8	-1.319	-0.914	0.261
H9	1.319	-0.914	0.261
H10	1.319	0.914	0.261
H11	0.000	1.424	1.584
H12	0.000	2.427	-0.206
H13	0.000	-1.424	1.584
H14	0.000	-2.427	-0.206

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7247	1.8572	1.8572	1.1799	2.4738	1.2543	1.2543	2.4744	2.4744	2.6408	2.5892	2.6408	2.5892
B2	1.7247		1.8572	1.8572	2.4738	1.1799	2.4744	2.4744	1.2543	1.2543	2.6408	2.5892	2.6408	2.5892
B3	1.8572	1.8572		2.8062	2.7470	2.7470	1.4125	2.6697	2.6697	1.4125	1.1914	1.1864	3.0683	3.8771
B4	1.8572	1.8572	2.8062		2.7470	2.7470	2.6697	1.4125	1.4125	2.6697	3.0683	3.8771	1.1914	1.1864
H5	1.1799	2.4738	2.7470	2.7470		2.7411	2.0127	2.0127	3.3587	3.3587	3.6889	3.0864	3.6889	3.0864
H6	2.4738	1.1799	2.7470	2.7470	2.7411		3.3587	3.3587	2.0127	2.0127	3.6889	3.0864	3.6889	3.0864
H7	1.2543	2.4744	1.4125	2.6697	2.0127	3.3587		1.8287	3.2095	2.6376	1.9360	2.0609	2.9930	3.6229
H8	1.2543	2.4744	2.6697	1.4125	2.0127	3.3587	1.8287		2.6376	3.2095	2.9930	3.6229	1.9360	2.0609
H9	2.4744	1.2543	2.6697	1.4125	3.3587	2.0127	3.2095	2.6376		1.8287	2.9930	3.6229	1.9360	2.0609
H10	2.4744	1.2543	1.4125	2.6697	3.3587	2.0127	2.6376	3.2095	1.8287		1.9360	2.0609	2.9930	3.6229
H11	2.6408	2.6408	1.1914	3.0683	3.6889	3.6889	1.9360	2.9930	2.9930	1.9360		2.0517	2.8489	4.2474
H12	2.5892	2.5892	1.1864	3.8771	3.0864	3.0864	2.0609	3.6229	3.6229	2.0609	2.0517		4.2474	4.8549
H13	2.6408	2.6408	3.0683	1.1914	3.6889	3.6889	2.9930	1.9360	1.9360	2.9930	2.8489	4.2474		2.0517
H14	2.5892	2.5892	3.8771	1.1864	3.0864	3.0864	3.6229	2.0609	2.0609	3.6229	4.2474	4.8549	2.0517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.333	B1	B2	B4	62.333
B1	B2	H6	115.511	B1	B2	H9	111.339
B1	B2	H10	111.339	B1	B3	B2	55.333
B1	B3	H7	42.454	B1	B3	H10	97.424
B1	B3	H11	118.402	B1	B3	H12	114.780
B1	B4	B2	55.333	B1	B4	H8	42.454
B1	B4	H9	97.424	B1	B4	H13	118.402
B1	B4	H14	114.780	B1	H7	B3	88.069
B1	H8	B4	88.069	B2	B1	B3	62.333
B2	B1	B4	62.333	B2	B1	H5	115.511
B2	B1	H7	111.339	B2	B1	H8	111.339
B2	B3	H7	97.424	B2	B3	H10	42.454
B2	B3	H11	118.402	B2	B3	H12	114.780
B2	B4	H8	97.424	B2	B4	H9	42.454
B2	B4	H13	118.402	B2	B4	H14	114.780
B2	H9	B4	88.069	B2	H10	B3	88.069
B3	B1	B4	98.137	B3	B1	H5	128.106
B3	B1	H7	49.476	B3	B1	H8	116.851
B3	B2	B4	98.137	B3	B2	H6	128.106
B3	B2	H9	116.851	B3	B2	H10	49.476
B4	B1	H5	128.106	B4	B1	H7	116.851
B4	B1	H8	49.476	B4	B2	H6	128.106
B4	B2	H9	49.476	B4	B2	H10	116.851
H5	B1	H7	111.505	H5	B1	H8	111.505
H6	B2	H9	111.505	H6	B2	H10	111.505
H7	B1	H8	93.598	H7	B3	H10	138.015
H7	B3	H11	95.681	H7	B3	H12	104.592
H8	B4	H9	138.015	H8	B4	H13	95.681
H8	B4	H14	104.592	H9	B2	H10	93.598
H9	B4	H13	95.681	H9	B4	H14	104.592
H10	B3	H11	95.681	H10	B3	H12	104.592
H11	B3	H12	119.271	H13	B4	H14	119.271

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

using model chemistry: B2PLYP/6-31G(2df,p)

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	-0.160
2	B	-0.160
3	B	-0.112
4	B	-0.112
5	H	0.000
6	H	0.000
7	H	0.148
8	H	0.148
9	H	0.148
10	H	0.148
11	H	-0.009
12	H	-0.015
13	H	-0.009
14	H	-0.015

<r²>	90.616
(<r²>)^1/2	9.519

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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