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	hartrees
Energy at 0K	-51.842264
Energy at 298.15K	-51.844990
HF Energy	-51.609655
Nuclear repulsion energy	24.932284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2915	2716	0.08
2	A₁	2211	2060	25.53
3	A₁	1393	1297	2.27
4	A₁	1158	1079	1.10
5	A₁	721	672	3.95
6	A₂	1399	1303	0.00
7	A₂	546	509	0.00
8	B₁	2221	2069	56.63
9	B₁	800	746	3.10
10	B₂	2872	2675	44.60
11	B₂	1460	1360	223.01
12	B₂	404	376	25.39

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.112
B2	0.000	-0.731	-0.112
H3	0.900	0.000	0.541
H4	-0.900	0.000	0.541
H5	0.000	1.893	0.021
H6	0.000	-1.893	0.021

	B1	B2	H3	H4	H5	H6
B1		1.4628	1.3311	1.3311	1.1691	2.6276
B2	1.4628		1.3311	1.3311	2.6276	1.1691
H3	1.3311	1.3311		1.8001	2.1595	2.1595
H4	1.3311	1.3311	1.8001		2.1595	2.1595
H5	1.1691	2.6276	2.1595	2.1595		3.7857
H6	2.6276	1.1691	2.1595	2.1595	3.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.668	B1	B2	H4	56.668
B1	B2	H6	173.451	B1	H3	B2	66.663
B1	H4	B2	66.663	B2	B1	H3	56.668
B2	B1	H4	56.668	B2	B1	H5	173.451
H3	B1	H4	85.093	H3	B1	H5	119.336
H3	B2	H4	85.093	H3	B2	H6	119.336
H4	B1	H5	119.336	H4	B2	H6	119.336

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

using model chemistry: MP3=FULL/6-31+G**

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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