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	hartrees
Energy at 0K	-51.823395
Energy at 298.15K	-51.826274
HF Energy	-51.618557
Nuclear repulsion energy	24.775862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2868	2725	0.06
2	A₁	2146	2039	16.07
3	A₁	1358	1291	2.73
4	A₁	1122	1066	2.90
5	A₁	738	702	3.21
6	A₂	1363	1295	0.00
7	A₂	649	617	0.00
8	B₁	2151	2043	42.63
9	B₁	809	769	2.63
10	B₂	2828	2687	31.69
11	B₂	1406	1336	220.29
12	B₂	502	477	31.81

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.735	-0.115
B2	0.000	-0.735	-0.115
H3	0.902	0.000	0.563
H4	-0.902	0.000	0.563
H5	0.000	1.902	0.010
H6	0.000	-1.902	0.010

	B1	B2	H3	H4	H5	H6
B1		1.4707	1.3466	1.3466	1.1730	2.6400
B2	1.4707		1.3466	1.3466	2.6400	1.1730
H3	1.3466	1.3466		1.8036	2.1762	2.1762
H4	1.3466	1.3466	1.8036		2.1762	2.1762
H5	1.1730	2.6400	2.1762	2.1762		3.8035
H6	2.6400	1.1730	2.1762	2.1762	3.8035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.901	B1	B2	H4	56.901
B1	B2	H6	173.900	B1	H3	B2	66.198
B1	H4	B2	66.198	B2	B1	H3	56.901
B2	B1	H4	56.901	B2	B1	H5	173.900
H3	B1	H4	84.087	H3	B1	H5	119.309
H3	B2	H4	84.087	H3	B2	H6	119.309
H4	B1	H5	119.309	H4	B2	H6	119.309

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

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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