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	hartrees
Energy at 0K	-52.653022
Energy at 298.15K	-52.658983
HF Energy	-52.497433
Nuclear repulsion energy	31.930369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2671	2485	0.00
2	A_g	2199	2046	0.00
3	A_g	1229	1143	0.00
4	A_g	818	762	0.00
5	A_u	883	822	0.00
6	B_1g	2760	2568	0.00
7	B_1g	930	865	0.00
8	B_1u	1959	1823	27.15
9	B_1u	993	924	14.77
10	B_2g	1898	1766	0.00
11	B_2g	821	764	0.00
12	B_2u	2770	2577	131.35
13	B_2u	1037	965	4.89
14	B_2u	417	388	8.47
15	B_3g	1117	1039	0.00
16	B_3u	2657	2473	115.36
17	B_3u	1786	1662	573.71
18	B_3u	1228	1143	80.71

Atom	x (Å)	y (Å)	z (Å)
B1	0.888	0.000	0.000
B2	-0.888	0.000	0.000
H3	0.000	0.000	0.975
H4	0.000	0.000	-0.975
H5	1.467	1.045	0.000
H6	1.467	-1.045	0.000
H7	-1.467	1.045	0.000
H8	-1.467	-1.045	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7768	1.3194	1.3194	1.1948	1.1948	2.5771	2.5771
B2	1.7768		1.3194	1.3194	2.5771	2.5771	1.1948	1.1948
H3	1.3194	1.3194		1.9509	2.0486	2.0486	2.0486	2.0486
H4	1.3194	1.3194	1.9509		2.0486	2.0486	2.0486	2.0486
H5	1.1948	2.5771	2.0486	2.0486		2.0905	2.9344	3.6029
H6	1.1948	2.5771	2.0486	2.0486	2.0905		3.6029	2.9344
H7	2.5771	1.1948	2.0486	2.0486	2.9344	3.6029		2.0905
H8	2.5771	1.1948	2.0486	2.0486	3.6029	2.9344	2.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.651	B1	H4	B2	84.651
H3	B1	H4	95.349	H3	B1	H5	109.038
H3	B1	H6	109.038	H3	B2	H4	95.349
H3	B2	H7	109.038	H3	B2	H8	109.038
H4	B1	H5	109.038	H4	B1	H6	109.038
H4	B2	H7	109.038	H4	B2	H8	109.038
H5	B1	H6	122.050	H7	B2	H8	122.050

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)