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	hartrees
Energy at 0K	-104.989232
Energy at 298.15K	-105.000227
HF Energy	-104.467593
Nuclear repulsion energy	103.320011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2699	2600	95.89
2	A₁	2672	2574	42.04
3	A₁	2584	2489	49.94
4	A₁	2262	2179	22.76
5	A₁	1581	1523	10.70
6	A₁	1182	1139	13.64
7	A₁	1014	976	1.46
8	A₁	864	833	0.50
9	A₁	805	776	1.18
10	A₁	683	658	0.26
11	A₁	558	538	0.00
12	A₁	230	222	6.55
13	A₂	2285	2201	0.00
14	A₂	1487	1432	0.00
15	A₂	1081	1041	0.00
16	A₂	1031	993	0.00
17	A₂	898	865	0.00
18	A₂	675	650	0.00
19	A₂	405	390	0.00
20	B₁	2688	2590	32.53
21	B₁	2252	2169	12.74
22	B₁	1549	1492	59.93
23	B₁	1098	1058	16.70
24	B₁	1014	977	68.37
25	B₁	912	878	14.15
26	B₁	771	743	0.31
27	B₁	575	554	21.60
28	B₂	2672	2574	77.68
29	B₂	2579	2484	78.50
30	B₂	2277	2194	152.33
31	B₂	1339	1290	2.00
32	B₂	1162	1119	54.50
33	B₂	941	907	21.97
34	B₂	876	844	42.54
35	B₂	447	431	12.90
36	B₂	345	333	2.20

Atom	x (Å)	y (Å)	z (Å)
B1	-0.873	0.000	-0.476
B2	0.873	0.000	-0.476
B3	0.000	1.417	0.404
B4	0.000	-1.417	0.404
H5	-1.381	0.000	-1.557
H6	1.381	0.000	-1.557
H7	-1.332	0.924	0.255
H8	-1.332	-0.924	0.255
H9	1.332	-0.924	0.255
H10	1.332	0.924	0.255
H11	0.000	1.418	1.610
H12	0.000	2.456	-0.200
H13	0.000	-1.418	1.610
H14	0.000	-2.456	-0.200

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7459	1.8828	1.8828	1.1942	2.4999	1.2647	1.2647	2.5001	2.5001	2.6689	2.6209	2.6689	2.6209
B2	1.7459		1.8828	1.8828	2.4999	1.1942	2.5001	2.5001	1.2647	1.2647	2.6689	2.6209	2.6689	2.6209
B3	1.8828	1.8828		2.8342	2.7858	2.7858	1.4281	2.6978	2.6978	1.4281	1.2057	1.2015	3.0806	3.9197
B4	1.8828	1.8828	2.8342		2.7858	2.7858	2.6978	1.4281	1.4281	2.6978	3.0806	3.9197	1.2057	1.2015
H5	1.1942	2.4999	2.7858	2.7858		2.7628	2.0345	2.0345	3.3911	3.3911	3.7342	3.1273	3.7342	3.1273
H6	2.4999	1.1942	2.7858	2.7858	2.7628		3.3911	3.3911	2.0345	2.0345	3.7342	3.1273	3.7342	3.1273
H7	1.2647	2.5001	1.4281	2.6978	2.0345	3.3911		1.8483	3.2424	2.6640	1.9629	2.0802	3.0156	3.6613
H8	1.2647	2.5001	2.6978	1.4281	2.0345	3.3911	1.8483		2.6640	3.2424	3.0156	3.6613	1.9629	2.0802
H9	2.5001	1.2647	2.6978	1.4281	3.3911	2.0345	3.2424	2.6640		1.8483	3.0156	3.6613	1.9629	2.0802
H10	2.5001	1.2647	1.4281	2.6978	3.3911	2.0345	2.6640	3.2424	1.8483		1.9629	2.0802	3.0156	3.6613
H11	2.6689	2.6689	1.2057	3.0806	3.7342	3.7342	1.9629	3.0156	3.0156	1.9629		2.0862	2.8355	4.2754
H12	2.6209	2.6209	1.2015	3.9197	3.1273	3.1273	2.0802	3.6613	3.6613	2.0802	2.0862		4.2754	4.9116
H13	2.6689	2.6689	3.0806	1.2057	3.7342	3.7342	3.0156	1.9629	1.9629	3.0156	2.8355	4.2754		2.0862
H14	2.6209	2.6209	3.9197	1.2015	3.1273	3.1273	3.6613	2.0802	2.0802	3.6613	4.2754	4.9116	2.0862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.377	B1	B2	B4	62.377
B1	B2	H6	115.201	B1	B2	H9	111.282
B1	B2	H10	111.282	B1	B3	B2	55.245
B1	B3	H7	42.183	B1	B3	H10	97.117
B1	B3	H11	117.898	B1	B3	H12	114.563
B1	B4	B2	55.245	B1	B4	H8	42.183
B1	B4	H9	97.117	B1	B4	H13	117.898
B1	B4	H14	114.563	B1	H7	B3	88.510
B1	H8	B4	88.510	B2	B1	B3	62.377
B2	B1	B4	62.377	B2	B1	H5	115.201
B2	B1	H7	111.282	B2	B1	H8	111.282
B2	B3	H7	97.117	B2	B3	H10	42.183
B2	B3	H11	117.898	B2	B3	H12	114.563
B2	B4	H8	97.117	B2	B4	H9	42.183
B2	B4	H13	117.898	B2	B4	H14	114.563
B2	H9	B4	88.510	B2	H10	B3	88.510
B3	B1	B4	97.642	B3	B1	H5	128.346
B3	B1	H7	49.308	B3	B1	H8	116.614
B3	B2	B4	97.642	B3	B2	H6	128.346
B3	B2	H9	116.614	B3	B2	H10	49.308
B4	B1	H5	128.346	B4	B1	H7	116.614
B4	B1	H8	49.308	B4	B2	H6	128.346
B4	B2	H9	49.308	B4	B2	H10	116.614
H5	B1	H7	111.630	H5	B1	H8	111.630
H6	B2	H9	111.630	H6	B2	H10	111.630
H7	B1	H8	93.895	H7	B3	H10	137.727
H7	B3	H11	95.998	H7	B3	H12	104.239
H8	B4	H9	137.727	H8	B4	H13	95.998
H8	B4	H14	104.239	H9	B2	H10	93.895
H9	B4	H13	95.998	H9	B4	H14	104.239
H10	B3	H11	95.998	H10	B3	H12	104.239
H11	B3	H12	120.144	H13	B4	H14	120.144

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

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

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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