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	hartrees
Energy at 0K	-53.175450
Energy at 298.15K	-53.181416
HF Energy	-52.834725
Nuclear repulsion energy	32.357145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2656	2557
2	A_g	2211	2129
3	A_g	1231	1185
4	A_g	836	805
5	A_u	891	858
6	B_1g	2743	2641
7	B_1g	942	907
8	B_1u	2053	1976
9	B_1u	1001	964
10	B_2g	1923	1852
11	B_2g	921	887
12	B_2u	2756	2653
13	B_2u	986	949
14	B_2u	373	359
15	B_3g	1125	1084
16	B_3u	2640	2543
17	B_3u	1777	1711
18	B_3u	1217	1172

Atom	x (Å)	y (Å)	z (Å)
B1	0.873	0.000	0.000
B2	-0.873	0.000	0.000
H3	0.000	0.000	0.970
H4	0.000	0.000	-0.970
H5	1.443	1.035	0.000
H6	1.443	-1.035	0.000
H7	-1.443	1.035	0.000
H8	-1.443	-1.035	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7460	1.3052	1.3052	1.1816	1.1816	2.5366	2.5366
B2	1.7460		1.3052	1.3052	2.5366	2.5366	1.1816	1.1816
H3	1.3052	1.3052		1.9406	2.0235	2.0235	2.0235	2.0235
H4	1.3052	1.3052	1.9406		2.0235	2.0235	2.0235	2.0235
H5	1.1816	2.5366	2.0235	2.0235		2.0703	2.8856	3.5515
H6	1.1816	2.5366	2.0235	2.0235	2.0703		3.5515	2.8856
H7	2.5366	1.1816	2.0235	2.0235	2.8856	3.5515		2.0703
H8	2.5366	1.1816	2.0235	2.0235	3.5515	2.8856	2.0703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.955	B1	H4	B2	83.955
H3	B1	H4	96.045	H3	B1	H5	108.816
H3	B1	H6	108.816	H3	B2	H4	96.045
H3	B2	H7	108.816	H3	B2	H8	108.816
H4	B1	H5	108.816	H4	B1	H6	108.816
H4	B2	H7	108.816	H4	B2	H8	108.816
H5	B1	H6	122.339	H7	B2	H8	122.339

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)