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	hartrees
Energy at 0K	-17.087179
Energy at 298.15K	-17.097917
HF Energy	-17.087179
Nuclear repulsion energy	55.427673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2690	2621	188.46
2	A₁	2676	2608	0.85
3	A₁	2569	2504	55.91
4	A₁	2162	2107	38.60
5	A₁	1479	1442	17.24
6	A₁	1134	1105	11.15
7	A₁	997	972	3.36
8	A₁	842	820	0.58
9	A₁	784	764	0.29
10	A₁	676	659	0.01
11	A₁	519	506	0.00
12	A₁	214	208	6.24
13	A₂	2190	2135	0.00
14	A₂	1379	1344	0.00
15	A₂	1070	1043	0.00
16	A₂	1028	1001	0.00
17	A₂	843	821	0.00
18	A₂	641	625	0.00
19	A₂	400	390	0.00
20	B₁	2675	2606	40.12
21	B₁	2155	2100	10.38
22	B₁	1448	1411	47.77
23	B₁	1093	1065	6.48
24	B₁	1017	991	47.36
25	B₁	894	871	19.94
26	B₁	736	717	0.20
27	B₁	544	530	33.67
28	B₂	2681	2613	89.80
29	B₂	2565	2500	91.61
30	B₂	2186	2130	201.58
31	B₂	1263	1231	0.75
32	B₂	1117	1089	40.75
33	B₂	925	901	6.53
34	B₂	828	807	81.81
35	B₂	414	404	9.30
36	B₂	304	296	0.15

Atom	x (Å)	y (Å)	z (Å)
B1	-0.873	0.000	-0.481
B2	0.873	0.000	-0.481
B3	0.000	1.444	0.413
B4	0.000	-1.444	0.413
H5	-1.377	0.000	-1.555
H6	1.377	0.000	-1.555
H7	-1.352	0.937	0.237
H8	-1.352	-0.937	0.237
H9	1.352	-0.937	0.237
H10	1.352	0.937	0.237
H11	0.000	1.434	1.609
H12	0.000	2.476	-0.185
H13	0.000	-1.434	1.609
H14	0.000	-2.476	-0.185

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7464	1.9098	1.9098	1.1862	2.4933	1.2744	1.2744	2.5190	2.5190	2.6816	2.6419	2.6816	2.6419
B2	1.7464		1.9098	1.9098	2.4933	1.1862	2.5190	2.5190	1.2744	1.2744	2.6816	2.6419	2.6816	2.6419
B3	1.9098	1.9098		2.8882	2.8026	2.8026	1.4542	2.7437	2.7437	1.4542	1.1970	1.1920	3.1171	3.9651
B4	1.9098	1.9098	2.8882		2.8026	2.8026	2.7437	1.4542	1.4542	2.7437	3.1171	3.9651	1.1970	1.1920
H5	1.1862	2.4933	2.8026	2.8026		2.7541	2.0231	2.0231	3.3968	3.3968	3.7375	3.1471	3.7375	3.1471
H6	2.4933	1.1862	2.8026	2.8026	2.7541		3.3968	3.3968	2.0231	2.0231	3.7375	3.1471	3.7375	3.1471
H7	1.2744	2.5190	1.4542	2.7437	2.0231	3.3968		1.8742	3.2895	2.7034	1.9891	2.0911	3.0548	3.6949
H8	1.2744	2.5190	2.7437	1.4542	2.0231	3.3968	1.8742		2.7034	3.2895	3.0548	3.6949	1.9891	2.0911
H9	2.5190	1.2744	2.7437	1.4542	3.3968	2.0231	3.2895	2.7034		1.8742	3.0548	3.6949	1.9891	2.0911
H10	2.5190	1.2744	1.4542	2.7437	3.3968	2.0231	2.7034	3.2895	1.8742		1.9891	2.0911	3.0548	3.6949
H11	2.6816	2.6816	1.1970	3.1171	3.7375	3.7375	1.9891	3.0548	3.0548	1.9891		2.0746	2.8680	4.3017
H12	2.6419	2.6419	1.1920	3.9651	3.1471	3.1471	2.0911	3.6949	3.6949	2.0911	2.0746		4.3017	4.9515
H13	2.6816	2.6816	3.1171	1.1970	3.7375	3.7375	3.0548	1.9891	1.9891	3.0548	2.8680	4.3017		2.0746
H14	2.6419	2.6419	3.9651	1.1920	3.1471	3.1471	3.6949	2.0911	2.0911	3.6949	4.3017	4.9515	2.0746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.792	B1	B2	B4	62.792
B1	B2	H6	115.135	B1	B2	H9	112.054
B1	B2	H10	112.054	B1	B3	B2	54.417
B1	B3	H7	41.842	B1	B3	H10	96.027
B1	B3	H11	117.498	B1	B3	H12	114.830
B1	B4	B2	54.417	B1	B4	H8	41.842
B1	B4	H9	96.027	B1	B4	H13	117.498
B1	B4	H14	114.830	B1	H7	B3	88.584
B1	H8	B4	88.584	B2	B1	B3	62.792
B2	B1	B4	62.792	B2	B1	H5	115.135
B2	B1	H7	112.054	B2	B1	H8	112.054
B2	B3	H7	96.027	B2	B3	H10	41.842
B2	B3	H11	117.498	B2	B3	H12	114.830
B2	B4	H8	96.027	B2	B4	H9	41.842
B2	B4	H13	117.498	B2	B4	H14	114.830
B2	H9	B4	88.584	B2	H10	B3	88.584
B3	B1	B4	98.257	B3	B1	H5	128.170
B3	B1	H7	49.574	B3	B1	H8	117.622
B3	B2	B4	98.257	B3	B2	H6	128.170
B3	B2	H9	117.622	B3	B2	H10	49.574
B4	B1	H5	128.170	B4	B1	H7	117.622
B4	B1	H8	49.574	B4	B2	H6	128.170
B4	B2	H9	49.574	B4	B2	H10	117.622
H5	B1	H7	110.564	H5	B1	H8	110.564
H6	B2	H9	110.564	H6	B2	H10	110.564
H7	B1	H8	94.673	H7	B3	H10	136.710
H7	B3	H11	96.743	H7	B3	H12	103.972
H8	B4	H9	136.710	H8	B4	H13	96.743
H8	B4	H14	103.972	H9	B2	H10	94.673
H9	B4	H13	96.743	H9	B4	H14	103.972
H10	B3	H11	96.743	H10	B3	H12	103.972
H11	B3	H12	120.549	H13	B4	H14	120.549

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

using model chemistry: B3LYP/CEP-121G

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	-0.130
2	B	-0.130
3	B	-0.305
4	B	-0.305
5	H	0.093
6	H	0.093
7	H	0.133
8	H	0.133
9	H	0.133
10	H	0.133
11	H	0.041
12	H	0.035
13	H	0.041
14	H	0.035

<r²>	80.934
(<r²>)^1/2	8.996

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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