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	hartrees
Energy at 0K	-105.035815
Energy at 298.15K	-105.046932
HF Energy	-104.477303
Nuclear repulsion energy	104.422979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2755	2605	72.36
2	A₁	2737	2588	26.58
3	A₁	2647	2503	37.65
4	A₁	2291	2166	15.87
5	A₁	1606	1518	10.47
6	A₁	1205	1139	11.38
7	A₁	1036	980	3.39
8	A₁	876	829	0.20
9	A₁	815	771	1.02
10	A₁	695	657	0.04
11	A₁	576	545	0.04
12	A₁	233	220	7.28
13	A₂	2322	2195	0.00
14	A₂	1505	1423	0.00
15	A₂	1110	1049	0.00
16	A₂	1059	1002	0.00
17	A₂	933	882	0.00
18	A₂	692	654	0.00
19	A₂	418	396	0.00
20	B₁	2746	2597	24.53
21	B₁	2287	2162	18.97
22	B₁	1565	1480	54.18
23	B₁	1132	1070	13.68
24	B₁	1046	989	67.79
25	B₁	935	884	14.29
26	B₁	784	741	0.52
27	B₁	592	560	22.47
28	B₂	2738	2588	57.39
29	B₂	2644	2499	71.73
30	B₂	2312	2186	128.05
31	B₂	1361	1287	2.34
32	B₂	1187	1123	43.55
33	B₂	965	912	15.91
34	B₂	895	847	36.48
35	B₂	472	446	11.60
36	B₂	361	341	2.43

Atom	x (Å)	y (Å)	z (Å)
B1	-0.865	0.000	-0.470
B2	0.865	0.000	-0.470
B3	0.000	1.399	0.398
B4	0.000	-1.399	0.398
H5	-1.368	0.000	-1.539
H6	1.368	0.000	-1.539
H7	-1.323	0.917	0.251
H8	-1.323	-0.917	0.251
H9	1.323	-0.917	0.251
H10	1.323	0.917	0.251
H11	0.000	1.405	1.590
H12	0.000	2.429	-0.194
H13	0.000	-1.405	1.590
H14	0.000	-2.429	-0.194

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7309	1.8603	1.8603	1.1813	2.4762	1.2535	1.2535	2.4799	2.4799	2.6401	2.5932	2.6401	2.5932
B2	1.7309		1.8603	1.8603	2.4762	1.1813	2.4799	2.4799	1.2535	1.2535	2.6401	2.5932	2.6401	2.5932
B3	1.8603	1.8603		2.7981	2.7538	2.7538	1.4154	2.6713	2.6713	1.4154	1.1921	1.1879	3.0471	3.8734
B4	1.8603	1.8603	2.7981		2.7538	2.7538	2.6713	1.4154	1.4154	2.6713	3.0471	3.8734	1.1921	1.1879
H5	1.1813	2.4762	2.7538	2.7538		2.7363	2.0124	2.0124	3.3598	3.3598	3.6934	3.0954	3.6934	3.0954
H6	2.4762	1.1813	2.7538	2.7538	2.7363		3.3598	3.3598	2.0124	2.0124	3.6934	3.0954	3.6934	3.0954
H7	1.2535	2.4799	1.4154	2.6713	2.0124	3.3598		1.8343	3.2192	2.6454	1.9444	2.0574	2.9893	3.6254
H8	1.2535	2.4799	2.6713	1.4154	2.0124	3.3598	1.8343		2.6454	3.2192	2.9893	3.6254	1.9444	2.0574
H9	2.4799	1.2535	2.6713	1.4154	3.3598	2.0124	3.2192	2.6454		1.8343	2.9893	3.6254	1.9444	2.0574
H10	2.4799	1.2535	1.4154	2.6713	3.3598	2.0124	2.6454	3.2192	1.8343		1.9444	2.0574	2.9893	3.6254
H11	2.6401	2.6401	1.1921	3.0471	3.6934	3.6934	1.9444	2.9893	2.9893	1.9444		2.0570	2.8105	4.2289
H12	2.5932	2.5932	1.1879	3.8734	3.0954	3.0954	2.0574	3.6254	3.6254	2.0574	2.0570		4.2289	4.8577
H13	2.6401	2.6401	3.0471	1.1921	3.6934	3.6934	2.9893	1.9444	1.9444	2.9893	2.8105	4.2289		2.0570
H14	2.5932	2.5932	3.8734	1.1879	3.0954	3.0954	3.6254	2.0574	2.0574	3.6254	4.2289	4.8577	2.0570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.276	B1	B2	B4	62.276
B1	B2	H6	115.186	B1	B2	H9	111.396
B1	B2	H10	111.396	B1	B3	B2	55.448
B1	B3	H7	42.333	B1	B3	H10	97.484
B1	B3	H11	118.089	B1	B3	H12	114.786
B1	B4	B2	55.448	B1	B4	H8	42.333
B1	B4	H9	97.484	B1	B4	H13	118.089
B1	B4	H14	114.786	B1	H7	B3	88.164
B1	H8	B4	88.164	B2	B1	B3	62.276
B2	B1	B4	62.276	B2	B1	H5	115.186
B2	B1	H7	111.396	B2	B1	H8	111.396
B2	B3	H7	97.484	B2	B3	H10	42.333
B2	B3	H11	118.089	B2	B3	H12	114.786
B2	B4	H8	97.484	B2	B4	H9	42.333
B2	B4	H13	118.089	B2	B4	H14	114.786
B2	H9	B4	88.164	B2	H10	B3	88.164
B3	B1	B4	97.534	B3	B1	H5	128.354
B3	B1	H7	49.503	B3	B1	H8	116.817
B3	B2	B4	97.534	B3	B2	H6	128.354
B3	B2	H9	116.817	B3	B2	H10	49.503
B4	B1	H5	128.354	B4	B1	H7	116.817
B4	B1	H8	49.503	B4	B2	H6	128.354
B4	B2	H9	49.503	B4	B2	H10	116.817
H5	B1	H7	111.456	H5	B1	H8	111.456
H6	B2	H9	111.456	H6	B2	H10	111.456
H7	B1	H8	94.061	H7	B3	H10	138.301
H7	B3	H11	96.061	H7	B3	H12	104.087
H8	B4	H9	138.301	H8	B4	H13	96.061
H8	B4	H14	104.087	H9	B2	H10	94.061
H9	B4	H13	96.061	H9	B4	H14	104.087
H10	B3	H11	96.061	H10	B3	H12	104.087
H11	B3	H12	119.597	H13	B4	H14	119.597

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

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

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

States and conformations

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