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	hartrees
Energy at 0K	-105.295393
Energy at 298.15K	-105.306371
HF Energy	-105.295393
Nuclear repulsion energy	104.522749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2713	2608	81.50
2	A₁	2686	2581	40.95
3	A₁	2590	2490	50.64
4	A₁	2247	2160	8.42
5	A₁	1593	1531	6.56
6	A₁	1151	1107	6.81
7	A₁	972	934	3.93
8	A₁	855	821	1.51
9	A₁	796	765	0.38
10	A₁	663	637	0.43
11	A₁	592	569	0.24
12	A₁	209	201	7.83
13	A₂	2287	2198	0.00
14	A₂	1503	1445	0.00
15	A₂	1048	1008	0.00
16	A₂	1006	967	0.00
17	A₂	900	865	0.00
18	A₂	705	678	0.00
19	A₂	398	383	0.00
20	B₁	2705	2600	32.82
21	B₁	2252	2165	8.58
22	B₁	1551	1491	36.36
23	B₁	1063	1022	13.54
24	B₁	981	943	39.23
25	B₁	896	861	12.33
26	B₁	730	702	2.48
27	B₁	592	569	13.10
28	B₂	2687	2583	82.57
29	B₂	2588	2487	80.76
30	B₂	2273	2185	96.39
31	B₂	1351	1299	2.40
32	B₂	1135	1091	30.97
33	B₂	909	874	23.85
34	B₂	864	831	9.76
35	B₂	560	539	7.97
36	B₂	330	317	3.11

Atom	x (Å)	y (Å)	z (Å)
B1	-0.858	0.000	-0.473
B2	0.858	0.000	-0.473
B3	0.000	1.386	0.394
B4	0.000	-1.386	0.394
H5	-1.373	0.000	-1.547
H6	1.373	0.000	-1.547
H7	-1.329	0.916	0.267
H8	-1.329	-0.916	0.267
H9	1.329	-0.916	0.267
H10	1.329	0.916	0.267
H11	0.000	1.390	1.598
H12	0.000	2.433	-0.191
H13	0.000	-1.390	1.598
H14	0.000	-2.433	-0.191

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7164	1.8464	1.8464	1.1917	2.4769	1.2681	1.2681	2.4843	2.4843	2.6373	2.5954	2.6373	2.5954
B2	1.7164		1.8464	1.8464	2.4769	1.1917	2.4843	2.4843	1.2681	1.2681	2.6373	2.5954	2.6373	2.5954
B3	1.8464	1.8464		2.7727	2.7523	2.7523	1.4157	2.6619	2.6619	1.4157	1.2043	1.1989	3.0260	3.8639
B4	1.8464	1.8464	2.7727		2.7523	2.7523	2.6619	1.4157	1.4157	2.6619	3.0260	3.8639	1.2043	1.1989
H5	1.1917	2.4769	2.7523	2.7523		2.7469	2.0326	2.0326	3.3815	3.3815	3.7027	3.1058	3.7027	3.1058
H6	2.4769	1.1917	2.7523	2.7523	2.7469		3.3815	3.3815	2.0326	2.0326	3.7027	3.1058	3.7027	3.1058
H7	1.2681	2.4843	1.4157	2.6619	2.0326	3.3815		1.8327	3.2292	2.6587	1.9401	2.0681	2.9762	3.6325
H8	1.2681	2.4843	2.6619	1.4157	2.0326	3.3815	1.8327		2.6587	3.2292	2.9762	3.6325	1.9401	2.0681
H9	2.4843	1.2681	2.6619	1.4157	3.3815	2.0326	3.2292	2.6587		1.8327	2.9762	3.6325	1.9401	2.0681
H10	2.4843	1.2681	1.4157	2.6619	3.3815	2.0326	2.6587	3.2292	1.8327		1.9401	2.0681	2.9762	3.6325
H11	2.6373	2.6373	1.2043	3.0260	3.7027	3.7027	1.9401	2.9762	2.9762	1.9401		2.0709	2.7793	4.2206
H12	2.5954	2.5954	1.1989	3.8639	3.1058	3.1058	2.0681	3.6325	3.6325	2.0681	2.0709		4.2206	4.8662
H13	2.6373	2.6373	3.0260	1.2043	3.7027	3.7027	2.9762	1.9401	1.9401	2.9762	2.7793	4.2206		2.0709
H14	2.5954	2.5954	3.8639	1.1989	3.1058	3.1058	3.6325	2.0681	2.0681	3.6325	4.2206	4.8662	2.0709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.302	B1	B2	B4	62.302
B1	B2	H6	115.618	B1	B2	H9	111.811
B1	B2	H10	111.811	B1	B3	B2	55.395
B1	B3	H7	43.293	B1	B3	H10	98.340
B1	B3	H11	118.118	B1	B3	H12	115.264
B1	B4	B2	55.395	B1	B4	H8	43.293
B1	B4	H9	98.340	B1	B4	H13	118.118
B1	B4	H14	115.264	B1	H7	B3	86.753
B1	H8	B4	86.753	B2	B1	B3	62.302
B2	B1	B4	62.302	B2	B1	H5	115.618
B2	B1	H7	111.811	B2	B1	H8	111.811
B2	B3	H7	98.340	B2	B3	H10	43.293
B2	B3	H11	118.118	B2	B3	H12	115.264
B2	B4	H8	98.340	B2	B4	H9	43.293
B2	B4	H13	118.118	B2	B4	H14	115.264
B2	H9	B4	86.753	B2	H10	B3	86.753
B3	B1	B4	97.329	B3	B1	H5	128.614
B3	B1	H7	49.954	B3	B1	H8	116.216
B3	B2	B4	97.329	B3	B2	H6	128.614
B3	B2	H9	116.216	B3	B2	H10	49.954
B4	B1	H5	128.614	B4	B1	H7	116.216
B4	B1	H8	49.954	B4	B2	H6	128.614
B4	B2	H9	49.954	B4	B2	H10	116.216
H5	B1	H7	111.406	H5	B1	H8	111.406
H6	B2	H9	111.406	H6	B2	H10	111.406
H7	B1	H8	92.541	H7	B3	H10	139.770
H7	B3	H11	95.205	H7	B3	H12	104.244
H8	B4	H9	139.770	H8	B4	H13	95.205
H8	B4	H14	104.244	H9	B2	H10	92.541
H9	B4	H13	95.205	H9	B4	H14	104.244
H10	B3	H11	95.205	H10	B3	H12	104.244
H11	B3	H12	119.023	H13	B4	H14	119.023

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

using model chemistry: B1B95/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	-0.123
2	B	-0.123
3	B	-0.158
4	B	-0.158
5	H	0.015
6	H	0.015
7	H	0.131
8	H	0.131
9	H	0.131
10	H	0.131
11	H	-0.002
12	H	0.005
13	H	-0.002
14	H	0.005

<r²>	90.309
(<r²>)^1/2	9.503

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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