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	hartrees
Energy at 0K	-104.973010
Energy at 298.15K	-104.984013
HF Energy	-104.464543
Nuclear repulsion energy	103.082139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2715	2572	102.32
2	A₁	2695	2553	36.83
3	A₁	2604	2467	48.10
4	A₁	2278	2158	21.10
5	A₁	1590	1506	11.44
6	A₁	1184	1122	13.10
7	A₁	1021	968	1.71
8	A₁	865	819	0.16
9	A₁	804	762	1.02
10	A₁	681	645	0.12
11	A₁	560	531	0.01
12	A₁	225	213	6.70
13	A₂	2305	2184	0.00
14	A₂	1493	1415	0.00
15	A₂	1085	1028	0.00
16	A₂	1033	978	0.00
17	A₂	907	860	0.00
18	A₂	680	644	0.00
19	A₂	412	390	0.00
20	B₁	2705	2562	33.09
21	B₁	2270	2150	12.38
22	B₁	1557	1475	65.96
23	B₁	1105	1047	16.56
24	B₁	1014	961	61.15
25	B₁	913	865	12.01
26	B₁	771	731	0.37
27	B₁	576	545	22.37
28	B₂	2696	2554	72.27
29	B₂	2600	2463	85.65
30	B₂	2298	2177	158.46
31	B₂	1345	1274	1.29
32	B₂	1166	1105	56.33
33	B₂	952	902	23.92
34	B₂	880	834	38.80
35	B₂	456	432	13.17
36	B₂	349	330	1.52

Atom	x (Å)	y (Å)	z (Å)
B1	-0.874	0.000	-0.474
B2	0.874	0.000	-0.474
B3	0.000	1.423	0.402
B4	0.000	-1.423	0.402
H5	-1.380	0.000	-1.560
H6	1.380	0.000	-1.560
H7	-1.336	0.926	0.259
H8	-1.336	-0.926	0.259
H9	1.336	-0.926	0.259
H10	1.336	0.926	0.259
H11	0.000	1.435	1.611
H12	0.000	2.460	-0.211
H13	0.000	-1.435	1.611
H14	0.000	-2.460	-0.211

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7473	1.8854	1.8854	1.1985	2.5020	1.2684	1.2684	2.5055	2.5055	2.6777	2.6236	2.6777	2.6236
B2	1.7473		1.8854	1.8854	2.5020	1.1985	2.5055	2.5055	1.2684	1.2684	2.6777	2.6236	2.6777	2.6236
B3	1.8854	1.8854		2.8454	2.7891	2.7891	1.4324	2.7062	2.7062	1.4324	1.2091	1.2050	3.1029	3.9307
B4	1.8854	1.8854	2.8454		2.7891	2.7891	2.7062	1.4324	1.4324	2.7062	3.1029	3.9307	1.2091	1.2050
H5	1.1985	2.5020	2.7891	2.7891		2.7607	2.0416	2.0416	3.3978	3.3978	3.7444	3.1267	3.7444	3.1267
H6	2.5020	1.1985	2.7891	2.7891	2.7607		3.3978	3.3978	2.0416	2.0416	3.7444	3.1267	3.7444	3.1267
H7	1.2684	2.5055	1.4324	2.7062	2.0416	3.3978		1.8528	3.2516	2.6721	1.9679	2.0874	3.0315	3.6706
H8	1.2684	2.5055	2.7062	1.4324	2.0416	3.3978	1.8528		2.6721	3.2516	3.0315	3.6706	1.9679	2.0874
H9	2.5055	1.2684	2.7062	1.4324	3.3978	2.0416	3.2516	2.6721		1.8528	3.0315	3.6706	1.9679	2.0874
H10	2.5055	1.2684	1.4324	2.7062	3.3978	2.0416	2.6721	3.2516	1.8528		1.9679	2.0874	3.0315	3.6706
H11	2.6777	2.6777	1.2091	3.1029	3.7444	3.7444	1.9679	3.0315	3.0315	1.9679		2.0907	2.8700	4.3001
H12	2.6236	2.6236	1.2050	3.9307	3.1267	3.1267	2.0874	3.6706	3.6706	2.0874	2.0907		4.3001	4.9198
H13	2.6777	2.6777	3.1029	1.2091	3.7444	3.7444	3.0315	1.9679	1.9679	3.0315	2.8700	4.3001		2.0907
H14	2.6236	2.6236	3.9307	1.2050	3.1267	3.1267	3.6706	2.0874	2.0874	3.6706	4.3001	4.9198	2.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.395	B1	B2	B4	62.395
B1	B2	H6	115.012	B1	B2	H9	111.379
B1	B2	H10	111.379	B1	B3	B2	55.210
B1	B3	H7	42.259	B1	B3	H10	97.139
B1	B3	H11	118.185	B1	B3	H12	114.398
B1	B4	B2	55.210	B1	B4	H8	42.259
B1	B4	H9	97.139	B1	B4	H13	118.185
B1	B4	H14	114.398	B1	H7	B3	88.329
B1	H8	B4	88.329	B2	B1	B3	62.395
B2	B1	B4	62.395	B2	B1	H5	115.012
B2	B1	H7	111.379	B2	B1	H8	111.379
B2	B3	H7	97.139	B2	B3	H10	42.259
B2	B3	H11	118.185	B2	B3	H12	114.398
B2	B4	H8	97.139	B2	B4	H9	42.259
B2	B4	H13	118.185	B2	B4	H14	114.398
B2	H9	B4	88.329	B2	H10	B3	88.329
B3	B1	B4	97.977	B3	B1	H5	128.097
B3	B1	H7	49.412	B3	B1	H8	116.848
B3	B2	B4	97.977	B3	B2	H6	128.097
B3	B2	H9	116.848	B3	B2	H10	49.412
B4	B1	H5	128.097	B4	B1	H7	116.848
B4	B1	H8	49.412	B4	B2	H6	128.097
B4	B2	H9	49.412	B4	B2	H10	116.848
H5	B1	H7	111.676	H5	B1	H8	111.676
H6	B2	H9	111.676	H6	B2	H10	111.676
H7	B1	H8	93.833	H7	B3	H10	137.724
H7	B3	H11	95.946	H7	B3	H12	104.318
H8	B4	H9	137.724	H8	B4	H13	95.946
H8	B4	H14	104.318	H9	B2	H10	93.833
H9	B4	H13	95.946	H9	B4	H14	104.318
H10	B3	H11	95.946	H10	B3	H12	104.318
H11	B3	H12	120.009	H13	B4	H14	120.009

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

using model chemistry: CCSD/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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All results from a given calculation for B4H10 (Tetraborane(10))

using model chemistry: CCSD/cc-pVDZ

States and conformations

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