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	hartrees
Energy at 0K	-128.801302
Energy at 298.15K	-128.811444
HF Energy	-128.487547
Nuclear repulsion energy	132.620828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2800	2702	61.99
2	A₁	2763	2667	4.14
3	A₁	1888	1823	42.74
4	A₁	1169	1128	13.91
5	A₁	996	962	0.73
6	A₁	792	764	0.26
7	A₁	713	688	4.44
8	A₂	1356	1309	0.00
9	A₂	771	744	0.00
10	B₁	1856	1792	0.00
11	B₁	1038	1002	0.00
12	B₁	745	719	0.00
13	B₁	639	617	0.00
14	B₂	2744	2649	0.00
15	B₂	1618	1562	0.00
16	B₂	777	750	0.00
17	B₂	682	658	0.00
18	B₂	420	405	0.00
19	E	2753	2658	126.68
19	E	2753	2658	126.68
20	E	1853	1789	50.12
20	E	1853	1789	50.12
21	E	1479	1428	149.84
21	E	1479	1428	149.84
22	E	1090	1052	7.97
22	E	1090	1052	7.97
23	E	936	904	12.94
23	E	936	904	12.94
24	E	895	864	25.62
24	E	895	864	25.62
25	E	782	755	0.89
25	E	782	755	0.89
26	E	602	581	32.67
26	E	602	581	32.67
27	E	515	497	16.23
27	E	515	497	16.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	1.002
H2	0.000	0.000	2.181
B3	0.000	1.311	-0.148
B4	1.311	0.000	-0.148
B5	0.000	-1.311	-0.148
B6	-1.311	0.000	-0.148
H7	0.000	2.486	0.000
H8	2.486	0.000	0.000
H9	0.000	-2.486	0.000
H10	-2.486	0.000	0.000
H11	0.983	0.983	-1.059
H12	0.983	-0.983	-1.059
H13	-0.983	-0.983	-1.059
H14	-0.983	0.983	-1.059

	B1	H2	B3	B4	B5	B6	H7	H8	H9	H10	H11	H12	H13	H14
B1		1.1791	1.7436	1.7436	1.7436	1.7436	2.6805	2.6805	2.6805	2.6805	2.4861	2.4861	2.4861	2.4861
H2	1.1791		2.6726	2.6726	2.6726	2.6726	3.3073	3.3073	3.3073	3.3073	3.5259	3.5259	3.5259	3.5259
B3	1.7436	2.6726		1.8534	2.6212	1.8534	1.1849	2.8144	3.7997	2.8144	1.3797	2.6564	2.6564	1.3797
B4	1.7436	2.6726	1.8534		1.8534	2.6212	2.8144	1.1849	2.8144	3.7997	1.3797	1.3797	2.6564	2.6564
B5	1.7436	2.6726	2.6212	1.8534		1.8534	3.7997	2.8144	1.1849	2.8144	2.6564	1.3797	1.3797	2.6564
B6	1.7436	2.6726	1.8534	2.6212	1.8534		2.8144	3.7997	2.8144	1.1849	2.6564	2.6564	1.3797	1.3797
H7	2.6805	3.3073	1.1849	2.8144	3.7997	2.8144		3.5161	4.9725	3.5161	2.0852	3.7581	3.7581	2.0852
H8	2.6805	3.3073	2.8144	1.1849	2.8144	3.7997	3.5161		3.5161	4.9725	2.0852	2.0852	3.7581	3.7581
H9	2.6805	3.3073	3.7997	2.8144	1.1849	2.8144	4.9725	3.5161		3.5161	3.7581	2.0852	2.0852	3.7581
H10	2.6805	3.3073	2.8144	3.7997	2.8144	1.1849	3.5161	4.9725	3.5161		3.7581	3.7581	2.0852	2.0852
H11	2.4861	3.5259	1.3797	1.3797	2.6564	2.6564	2.0852	2.0852	3.7581	3.7581		1.9659	2.7803	1.9659
H12	2.4861	3.5259	2.6564	1.3797	1.3797	2.6564	3.7581	2.0852	2.0852	3.7581	1.9659		1.9659	2.7803
H13	2.4861	3.5259	2.6564	2.6564	1.3797	1.3797	3.7581	3.7581	2.0852	2.0852	2.7803	1.9659		1.9659
H14	2.4861	3.5259	1.3797	2.6564	2.6564	1.3797	2.0852	3.7581	3.7581	2.0852	1.9659	2.7803	1.9659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B3	B4	57.894	B1	B3	B6	57.894
B1	B3	H7	131.550	B1	B3	H11	104.895
B1	B3	H14	104.895	B1	B4	B3	57.894
B1	B4	B5	57.894	B1	B4	H11	104.895
B1	B4	H12	104.895	B1	B5	B6	57.894
B1	B5	H9	131.550	B1	B5	H12	104.895
B1	B5	H13	104.895	B1	B6	H10	131.550
B1	B6	H13	104.895	B1	B6	H14	104.895
B2	B1	B3	131.268	B2	B1	B4	131.268
B2	B1	B5	131.268	B2	B1	B6	131.268
B3	B1	B4	64.212	B3	B1	B5	97.465
B3	B1	B6	64.212	B3	B4	B5	90.000
B3	B4	H8	134.552	B3	B4	H11	47.803
B3	B4	H12	109.626	B3	B6	B5	90.000
B3	B6	H10	134.552	B3	B6	H13	109.626
B3	B6	H14	47.803	B3	H11	B4	84.395
B3	H14	B6	84.395	B4	B1	B5	64.212
B4	B1	B6	97.465	B4	B3	B6	90.000
B4	B3	H7	134.552	B4	B3	H11	47.803
B4	B3	H14	109.626	B4	B5	B6	90.000
B4	B5	H9	134.552	B4	B5	H12	47.803
B4	B5	H13	109.626	B4	H12	B5	84.395
B5	B1	B6	64.212	B5	B4	H8	134.552
B5	B4	H11	109.626	B5	B4	H12	47.803
B5	B6	H10	134.552	B5	B6	H13	47.803
B5	B6	H14	109.626	B5	H13	B6	84.395
B6	B3	H7	134.552	B6	B3	H11	109.626
B6	B3	H14	47.803	B6	B5	H9	134.552
B6	B5	H12	109.626	B6	B5	H13	47.803
H7	B3	H11	108.551	H7	B3	H14	108.551
H8	B4	H11	108.551	H8	B4	H12	108.551
H9	B5	H12	108.551	H9	B5	H13	108.551
H10	B6	H13	108.551	H10	B6	H14	108.551

All results from a given calculation for B₅H₉ (pentaborane9)

using model chemistry: MP2/SDD

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 B5H9 (pentaborane9)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for B₅H₉ (pentaborane9)