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	hartrees
Energy at 0K	-51.693366
Energy at 298.15K	-51.695549
HF Energy	-51.563361
Nuclear repulsion energy	24.556317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2873	2730	0.17
2	A₁	2084	1980	25.64
3	A₁	1346	1279	4.11
4	A₁	1156	1099	8.06
5	A₁	693	659	1.83
6	A₂	1281	1217	0.00
7	A₂	342	325	0.00
8	B₁	2068	1965	75.04
9	B₁	778	739	1.12
10	B₂	2834	2692	39.73
11	B₂	1322	1256	203.17
12	B₂	151	143	57.38

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.742	-0.114
B2	0.000	-0.742	-0.114
H3	0.927	0.000	0.557
H4	-0.927	0.000	0.557
H5	0.000	1.913	0.012
H6	0.000	-1.913	0.012

	B1	B2	H3	H4	H5	H6
B1		1.4833	1.3632	1.3632	1.1777	2.6572
B2	1.4833		1.3632	1.3632	2.6572	1.1777
H3	1.3632	1.3632		1.8536	2.1939	2.1939
H4	1.3632	1.3632	1.8536		2.1939	2.1939
H5	1.1777	2.6572	2.1939	2.1939		3.8251
H6	2.6572	1.1777	2.1939	2.1939	3.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.042	B1	B2	H4	57.042
B1	B2	H6	173.867	B1	H3	B2	65.915
B1	H4	B2	65.915	B2	B1	H3	57.042
B2	B1	H4	57.042	B2	B1	H5	173.867
H3	B1	H4	85.663	H3	B1	H5	119.233
H3	B2	H4	85.663	H3	B2	H6	119.233
H4	B1	H5	119.233	H4	B2	H6	119.233

All results from a given calculation for HBHHBH (Diborane(4) C2V)

using model chemistry: MP2=FULL/6-31G

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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