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	hartrees
Energy at 0K	-53.010309
Energy at 298.15K	-53.016222
HF Energy	-52.818062
Nuclear repulsion energy	32.079883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	2646	2515	0.00	231.04	0.13	0.24
2	A_g	2199	2090	0.00	82.68	0.07	0.13
3	A_g	1215	1154	0.00	9.39	0.71	0.83
4	A_g	828	787	0.00	19.07	0.19	0.32
5	A_u	871	828	0.00	0.00	0.00	0.00
6	B_1g	2730	2594	0.00	104.54	0.75	0.86
7	B_1g	953	906	0.00	1.02	0.75	0.86
8	B_1u	2048	1946	4.93	0.00	0.00	0.00
9	B_1u	1004	954	14.33	0.00	0.00	0.00
10	B_2g	1910	1815	0.00	6.18	0.75	0.86
11	B_2g	912	867	0.00	4.44	0.75	0.86
12	B_2u	2744	2608	166.85	0.00	0.00	0.00
13	B_2u	969	921	0.78	0.00	0.00	0.00
14	B_2u	353	336	15.65	0.00	0.00	0.00
15	B_3g	1076	1023	0.00	33.76	0.75	0.86
16	B_3u	2630	2499	146.08	0.00	0.00	0.00
17	B_3u	1746	1659	510.64	0.00	0.00	0.00
18	B_3u	1200	1141	70.87	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.880	0.000	0.000
B2	-0.880	0.000	0.000
H3	0.000	0.000	0.982
H4	0.000	0.000	-0.982
H5	1.455	1.042	0.000
H6	1.455	-1.042	0.000
H7	-1.455	1.042	0.000
H8	-1.455	-1.042	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7603	1.3190	1.3190	1.1903	1.1903	2.5572	2.5572
B2	1.7603		1.3190	1.3190	2.5572	2.5572	1.1903	1.1903
H3	1.3190	1.3190		1.9647	2.0417	2.0417	2.0417	2.0417
H4	1.3190	1.3190	1.9647		2.0417	2.0417	2.0417	2.0417
H5	1.1903	2.5572	2.0417	2.0417		2.0844	2.9101	3.5796
H6	1.1903	2.5572	2.0417	2.0417	2.0844		3.5796	2.9101
H7	2.5572	1.1903	2.0417	2.0417	2.9101	3.5796		2.0844
H8	2.5572	1.1903	2.0417	2.0417	3.5796	2.9101	2.0844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.721	B1	H4	B2	83.721
H3	B1	H4	96.279	H3	B1	H5	108.803
H3	B1	H6	108.803	H3	B2	H4	96.279
H3	B2	H7	108.803	H3	B2	H8	108.803
H4	B1	H5	108.803	H4	B1	H6	108.803
H4	B2	H7	108.803	H4	B2	H8	108.803
H5	B1	H6	122.238	H7	B2	H8	122.238

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP2/6-311G*

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 B2H6 (Diborane)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)