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	hartrees
Energy at 0K	-53.105680
Energy at 298.15K	-53.111594
HF Energy	-52.832503
Nuclear repulsion energy	32.088091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2658	2559
2	A_g	2206	2125
3	A_g	1228	1182
4	A_g	814	784
5	A_u	857	825
6	B_1g	2740	2638
7	B_1g	955	919
8	B_1u	2025	1950
9	B_1u	1002	965
10	B_2g	1917	1846
11	B_2g	856	824
12	B_2u	2754	2652
13	B_2u	994	957
14	B_2u	365	351
15	B_3g	1050	1011
16	B_3u	2643	2545
17	B_3u	1777	1711
18	B_3u	1215	1170

Atom	x (Å)	y (Å)	z (Å)
B1	0.884	0.000	0.000
B2	-0.884	0.000	0.000
H3	0.000	0.000	0.973
H4	0.000	0.000	-0.973
H5	1.458	1.040	0.000
H6	1.458	-1.040	0.000
H7	-1.458	1.040	0.000
H8	-1.458	-1.040	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7679	1.3147	1.3147	1.1879	1.1879	2.5623	2.5623
B2	1.7679		1.3147	1.3147	2.5623	2.5623	1.1879	1.1879
H3	1.3147	1.3147		1.9464	2.0381	2.0381	2.0381	2.0381
H4	1.3147	1.3147	1.9464		2.0381	2.0381	2.0381	2.0381
H5	1.1879	2.5623	2.0381	2.0381		2.0801	2.9156	3.5816
H6	1.1879	2.5623	2.0381	2.0381	2.0801		3.5816	2.9156
H7	2.5623	1.1879	2.0381	2.0381	2.9156	3.5816		2.0801
H8	2.5623	1.1879	2.0381	2.0381	3.5816	2.9156	2.0801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.498	B1	H4	B2	84.498
H3	B1	H4	95.502	H3	B1	H5	108.954
H3	B1	H6	108.954	H3	B2	H4	95.502
H3	B2	H7	108.954	H3	B2	H8	108.954
H4	B1	H5	108.954	H4	B1	H6	108.954
H4	B2	H7	108.954	H4	B2	H8	108.954
H5	B1	H6	122.224	H7	B2	H8	122.224

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

All results from a given calculation for B₂H₆ (Diborane)