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	hartrees
Energy at 0K	-105.302661
Energy at 298.15K
HF Energy	-105.302661
Nuclear repulsion energy	104.798695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	8538	8179	1788.29
2	A	2690	2577	60.84
3	A	2664	2552	42.12
4	A	2650	2539	53.20
5	A	2607	2497	88.46
6	A	2395	2294	20.86
7	A	2287	2190	36.78
8	A	1606	1539	12.93
9	A	1556	1490	21.50
10	A	1494	1432	5.74
11	A	1294	1240	9.40
12	A	1167	1118	15.82
13	A	1001	959	5.21
14	A	966	925	6.41
15	A	932	893	8.47
16	A	849	813	3.20
17	A	818	784	2.38
18	A	784	751	14.40
19	A	737	706	3.44
20	A	702	672	5.71
21	A	680	651	11.46
22	A	656	629	13.70
23	A	594	569	9.30
24	A	580	555	0.37
25	A	419	401	6.54
26	A			5621786.00
27	A	2186i	2094i	47.12
28	A	10571i	10126i	503.85
29	A	24859i	23812i	1674.83
30	A	29743i	28491i	167.85
31	A	35184i	33703i	1494.25
32	A	40218i	38525i	48.12
33	A	52570i	50357i	24220.84
34	A	56484i	54106i	4249.43
35	A	443547i	424874i	367041.20
36	A	497448i	476505i	69881.21

Atom	x (Å)	y (Å)	z (Å)
B1	-0.000	0.857	-0.461
B2	0.000	-0.857	-0.461
B3	1.402	0.000	0.387
B4	-1.402	-0.000	0.387
H5	-0.000	1.371	-1.532
H6	0.000	-1.371	-1.532
H7	0.917	1.320	0.269
H8	-0.917	1.320	0.269
H9	-0.917	-1.320	0.269
H10	0.917	-1.320	0.269
H11	1.440	-0.000	1.587
H12	2.428	-0.000	-0.225
H13	-1.440	-0.000	1.587
H14	-2.428	-0.000	-0.225

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7131	1.8492	1.8492	1.1876	2.4711	1.2604	1.2604	2.4721	2.4721	2.6459	2.5852	2.6460	2.5852
B2	1.7131		1.8492	1.8492	2.4711	1.1876	2.4721	2.4721	1.2604	1.2604	2.6459	2.5852	2.6460	2.5852
B3	1.8492	1.8492		2.8042	2.7436	2.7436	1.4113	2.6710	2.6710	1.4113	1.1998	1.1946	3.0850	3.8785
B4	1.8492	1.8492	2.8042		2.7436	2.7436	2.6710	1.4113	1.4113	2.6710	3.0850	3.8785	1.1998	1.1946
H5	1.1876	2.4711	2.7436	2.7436		2.7410	2.0215	2.0215	3.3649	3.3649	3.6982	3.0789	3.6982	3.0789
H6	2.4711	1.1876	2.7436	2.7436	2.7410		3.3649	3.3649	2.0214	2.0214	3.6982	3.0789	3.6982	3.0789
H7	1.2604	2.4721	1.4113	2.6710	2.0215	3.3649		1.8337	3.2144	2.6400	1.9371	2.0663	3.0057	3.6295
H8	1.2604	2.4721	2.6710	1.4113	2.0215	3.3649	1.8337		2.6400	3.2144	3.0057	3.6295	1.9371	2.0663
H9	2.4721	1.2604	2.6710	1.4113	3.3649	2.0214	3.2144	2.6400		1.8337	3.0057	3.6295	1.9371	2.0663
H10	2.4721	1.2604	1.4113	2.6710	3.3649	2.0214	2.6400	3.2144	1.8337		1.9370	2.0663	3.0057	3.6295
H11	2.6459	2.6459	1.1998	3.0850	3.6982	3.6982	1.9371	3.0057	3.0057	1.9370		2.0633	2.8807	4.2713
H12	2.5852	2.5852	1.1946	3.8785	3.0789	3.0789	2.0663	3.6295	3.6295	2.0663	2.0633		4.2713	4.8555
H13	2.6460	2.6460	3.0850	1.1998	3.6982	3.6982	3.0057	1.9371	1.9371	3.0057	2.8807	4.2713		2.0633
H14	2.5852	2.5852	3.8785	1.1946	3.0789	3.0789	3.6295	2.0663	2.0663	3.6295	4.2713	4.8555	2.0633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.406	B1	B2	B4	62.406
B1	B2	H6	115.642	B1	B2	H9	111.574
B1	B2	H10	111.575	B1	B3	B2	55.189
B1	B3	H7	42.914	B1	B3	H10	97.706
B1	B3	H11	118.866	B1	B3	H12	114.565
B1	B4	B2	55.189	B1	B4	H8	42.914
B1	B4	H9	97.706	B1	B4	H13	118.866
B1	B4	H14	114.565	B1	H7	B3	87.406
B1	H8	B4	87.406	B2	B1	B3	62.406
B2	B1	B4	62.406	B2	B1	H5	115.642
B2	B1	H7	111.575	B2	B1	H8	111.574
B2	B3	H7	97.706	B2	B3	H10	42.914
B2	B3	H11	118.866	B2	B3	H12	114.565
B2	B4	H8	97.706	B2	B4	H9	42.914
B2	B4	H13	118.866	B2	B4	H14	114.565
B2	H9	B4	87.406	B2	H10	B3	87.406
B3	B1	B4	98.617	B3	B1	H5	127.886
B3	B1	H7	49.680	B3	B1	H8	117.135
B3	B2	B4	98.617	B3	B2	H6	127.886
B3	B2	H9	117.135	B3	B2	H10	49.680
B4	B1	H5	127.886	B4	B1	H7	117.135
B4	B1	H8	49.680	B4	B2	H6	127.886
B4	B2	H9	49.680	B4	B2	H10	117.135
H5	B1	H7	111.293	H5	B1	H8	111.293
H6	B2	H9	111.293	H6	B2	H10	111.293
H7	B1	H8	93.345	H7	B3	H10	138.551
H7	B3	H11	95.436	H7	B3	H12	104.608
H8	B4	H9	138.551	H8	B4	H13	95.436
H8	B4	H14	104.608	H9	B2	H10	93.345
H9	B4	H13	95.436	H9	B4	H14	104.608
H10	B3	H11	95.435	H10	B3	H12	104.608
H11	B3	H12	119.020	H13	B4	H14	119.019

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

using model chemistry: B1B95/aug-cc-pVDZ

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	-1.879
2	B	-1.872
3	B	-2.995
4	B	-3.003
5	H	0.857
6	H	0.859
7	H	0.903
8	H	0.903
9	H	0.903
10	H	0.901
11	H	1.182
12	H	1.024
13	H	1.186
14	H	1.032

	x	y	z
x	10.367	-0.030	-0.043
y	-0.030	8.881	0.027
z	-0.043	0.027	8.804

<r²>	90.185
(<r²>)^1/2	9.497

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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