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	hartrees
Energy at 0K	-105.276187
Energy at 298.15K
HF Energy	-105.098774
Nuclear repulsion energy	104.754380

Atom	x (Å)	y (Å)	z (Å)
B1	-0.859	0.000	-0.460
B2	0.859	0.000	-0.460
B3	0.000	1.406	0.388
B4	0.000	-1.406	0.388
H5	-1.369	0.000	-1.523
H6	1.369	0.000	-1.523
H7	-1.315	0.915	0.264
H8	-1.315	-0.915	0.264
H9	1.315	-0.915	0.264
H10	1.315	0.915	0.264
H11	0.000	1.447	1.577
H12	0.000	2.423	-0.221
H13	0.000	-1.447	1.577
H14	0.000	-2.423	-0.221

	B1	B2	B3	B4	H5	H6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.7173	1.8532	1.8532	1.1788	2.4681	1.2532	1.2532	2.4670	2.4670	2.6421	2.5815	2.6421	2.5815
B2	1.7173		1.8532	1.8532	2.4681	1.1788	2.4670	2.4670	1.2532	1.2532	2.6421	2.5815	2.6421	2.5815
B3	1.8532	1.8532		2.8130	2.7391	2.7391	1.4089	2.6709	2.6709	1.4089	1.1899	1.1845	3.0914	3.8773
B4	1.8532	1.8532	2.8130		2.7391	2.7391	2.6709	1.4089	1.4089	2.6709	3.0914	3.8773	1.1899	1.1845
H5	1.1788	2.4681	2.7391	2.7391		2.7380	2.0087	2.0087	3.3517	3.3517	3.6846	3.0723	3.6846	3.0723
H6	2.4681	1.1788	2.7391	2.7391	2.7380		3.3517	3.3517	2.0087	2.0087	3.6846	3.0723	3.6846	3.0723
H7	1.2532	2.4670	1.4089	2.6709	2.0087	3.3517		1.8303	3.2037	2.6293	1.9323	2.0583	3.0051	3.6201
H8	1.2532	2.4670	2.6709	1.4089	2.0087	3.3517	1.8303		2.6293	3.2037	3.0051	3.6201	1.9323	2.0583
H9	2.4670	1.2532	2.6709	1.4089	3.3517	2.0087	3.2037	2.6293		1.8303	3.0051	3.6201	1.9323	2.0583
H10	2.4670	1.2532	1.4089	2.6709	3.3517	2.0087	2.6293	3.2037	1.8303		1.9323	2.0583	3.0051	3.6201
H11	2.6421	2.6421	1.1899	3.0914	3.6846	3.6846	1.9323	3.0051	3.0051	1.9323		2.0455	2.8940	4.2669
H12	2.5815	2.5815	1.1845	3.8773	3.0723	3.0723	2.0583	3.6201	3.6201	2.0583	2.0455		4.2669	4.8454
H13	2.6421	2.6421	3.0914	1.1899	3.6846	3.6846	3.0051	1.9323	1.9323	3.0051	2.8940	4.2669		2.0455
H14	2.5815	2.5815	3.8773	1.1845	3.0723	3.0723	3.6201	2.0583	2.0583	3.6201	4.2669	4.8454	2.0455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	B3	62.397	B1	B2	B4	62.397
B1	B2	H6	115.653	B1	B2	H9	111.337
B1	B2	H10	111.337	B1	B3	B2	55.205
B1	B3	H7	42.520	B1	B3	H10	97.334
B1	B3	H11	118.887	B1	B3	H12	114.586
B1	B4	B2	55.205	B1	B4	H8	42.520
B1	B4	H9	97.334	B1	B4	H13	118.887
B1	B4	H14	114.586	B1	H7	B3	88.036
B1	H8	B4	88.036	B2	B1	B3	62.397
B2	B1	B4	62.397	B2	B1	H5	115.653
B2	B1	H7	111.337	B2	B1	H8	111.337
B2	B3	H7	97.334	B2	B3	H10	42.520
B2	B3	H11	118.887	B2	B3	H12	114.586
B2	B4	H8	97.334	B2	B4	H9	42.520
B2	B4	H13	118.887	B2	B4	H14	114.586
B2	H9	B4	88.036	B2	H10	B3	88.036
B3	B1	B4	98.742	B3	B1	H5	127.808
B3	B1	H7	49.445	B3	B1	H8	117.275
B3	B2	B4	98.742	B3	B2	H6	127.808
B3	B2	H9	117.275	B3	B2	H10	49.445
B4	B1	H5	127.808	B4	B1	H7	117.275
B4	B1	H8	49.445	B4	B2	H6	127.808
B4	B2	H9	49.445	B4	B2	H10	117.275
H5	B1	H7	111.328	H5	B1	H8	111.328
H6	B2	H9	111.328	H6	B2	H10	111.328
H7	B1	H8	93.815	H7	B3	H10	137.857
H7	B3	H11	95.699	H7	B3	H12	104.728
H8	B4	H9	137.857	H8	B4	H13	95.699
H8	B4	H14	104.728	H9	B2	H10	93.815
H9	B4	H13	95.699	H9	B4	H14	104.728
H10	B3	H11	95.699	H10	B3	H12	104.728
H11	B3	H12	118.965	H13	B4	H14	118.965

Number	Element	Mulliken
1	B	0.076
2	B	0.076
3	B	0.271
4	B	0.271
5	H	-0.155
6	H	-0.155
7	H	0.041
8	H	0.041
9	H	0.041
10	H	0.041
11	H	-0.133
12	H	-0.142
13	H	-0.133
14	H	-0.142

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

using model chemistry: B2PLYP/aug-cc-pVTZ

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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<r²>	90.755
(<r²>)^1/2	9.527

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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