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	hartrees
Energy at 0K	-51.924979
Energy at 298.15K	-51.927464
HF Energy	-51.654843
Nuclear repulsion energy	22.430044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2638	2523	0.00
2	A₁	1245	1191	0.00
3	A₁	873	835	0.00
4	B₁	543	519	0.00
5	B₂	2617	2503	73.03
6	B₂	1182	1130	10.36
7	E	2699	2581	85.92
7	E	2699	2581	85.92
8	E	1019	974	28.97
8	E	1019	974	28.97
9	E	416	398	6.01
9	E	416	398	6.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.012	1.443
H4	0.000	-1.012	1.443
H5	1.012	0.000	-1.443
H6	-1.012	0.000	-1.443

	B1	B2	H3	H4	H5	H6
B1		1.6379	1.1889	1.1889	2.4780	2.4780
B2	1.6379		2.4780	2.4780	1.1889	1.1889
H3	1.1889	2.4780		2.0239	3.2214	3.2214
H4	1.1889	2.4780	2.0239		3.2214	3.2214
H5	2.4780	1.1889	3.2214	3.2214		2.0239
H6	2.4780	1.1889	3.2214	3.2214	2.0239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.662	B1	B2	H6	121.662
B2	B1	H3	121.662	B2	B1	H4	121.662
H3	B1	H4	116.676	H5	B2	H6	116.676

All results from a given calculation for B₂H₄ (Diborane(4) D2d)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for B₂H₄ (Diborane(4) D2d)