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	hartrees
Energy at 0K	-53.040953
Energy at 298.15K	-53.046859
HF Energy	-52.812064
Nuclear repulsion energy	32.113337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2665	2563
2	A_g	2244	2158
3	A_g	1226	1179
4	A_g	834	802
5	A_u	863	830
6	B_1g	2748	2643
7	B_1g	957	920
8	B_1u	2081	2001
9	B_1u	1001	962
10	B_2g	1937	1863
11	B_2g	890	856
12	B_2u	2760	2654
13	B_2u	985	948
14	B_2u	360	346
15	B_3g	1064	1023
16	B_3u	2651	2549
17	B_3u	1798	1729
18	B_3u	1219	1172

Atom	x (Å)	y (Å)	z (Å)
B1	0.877	0.000	0.000
B2	-0.877	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.459	1.042	0.000
H6	1.459	-1.042	0.000
H7	-1.459	1.042	0.000
H8	-1.459	-1.042	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7536	1.3137	1.3137	1.1938	1.1938	2.5580	2.5580
B2	1.7536		1.3137	1.3137	2.5580	2.5580	1.1938	1.1938
H3	1.3137	1.3137		1.9565	2.0427	2.0427	2.0427	2.0427
H4	1.3137	1.3137	1.9565		2.0427	2.0427	2.0427	2.0427
H5	1.1938	2.5580	2.0427	2.0427		2.0840	2.9188	3.5864
H6	1.1938	2.5580	2.0427	2.0427	2.0840		3.5864	2.9188
H7	2.5580	1.1938	2.0427	2.0427	2.9188	3.5864		2.0840
H8	2.5580	1.1938	2.0427	2.0427	3.5864	2.9188	2.0840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.740	B1	H4	B2	83.740
H3	B1	H4	96.260	H3	B1	H5	109.009
H3	B1	H6	109.009	H3	B2	H4	96.260
H3	B2	H7	109.009	H3	B2	H8	109.009
H4	B1	H5	109.009	H4	B1	H6	109.009
H4	B2	H7	109.009	H4	B2	H8	109.009
H5	B1	H6	121.580	H7	B2	H8	121.580

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)