CCCBDB Compare calculated bond lengths

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composite	G2	2.6733 1
	G3	2.6733 1
	G3B3	2.5952 1
	G4	2.6864 1
	CBS-Q	2.6710 1

		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
hartree fock	HF	2.6019 1	2.8270 1	2.8270 1	2.8190 1	2.7846 1	2.7846 1	2.7693 1	2.7341 1	2.7341 1	2.7560 1		2.6250 1	2.7563 1	2.7329 1	2.7267 1	2.7333 1	2.7304 1	2.7260 1	2.7303 1
hartree fock	ROHF		2.8270 1	2.8270 1	2.8190 1	2.7846 1	2.7846 1	2.7693 1	2.7341 1	2.7341 1			2.6250 1	2.7563 1	2.7329 1	2.7267 1	2.7333 1	2.7304 1	2.7260 1
density functional	LSDA	2.4889 1	2.6033 1	2.6033 1	2.5823 1	2.5752 1	2.5752 1	2.5741 1	2.5473 1	2.5473 1	2.5567 1		2.5052 1	2.5648 1	2.5448 1		2.5450 1	2.5438 1
	BLYP	2.5212 1	2.6180 1	2.6180 1	2.6052 1	2.6901 1	2.5953 1	2.5953 1	2.5753 1	2.5753 1	2.5897 1		2.5386 1	2.5818 1	2.5734 1
	B1B95	2.5382 1	2.6700 1	2.6700 1	2.6501 1	2.6489 1			2.6150 1	2.6150 1	2.6307 1		2.5640 1	2.6321 1	2.6159 1		2.6236 1	2.6133 1
	B3LYP	2.5153 1	2.6136 1	2.6136 1	2.6000 1	2.5910 1	2.5910 1	2.5887 1	2.5669 1	2.5669 1	2.5816 1		2.5237 1	2.5761 1	2.5654 1	2.5600 1	2.5696 1	2.5632 1	2.5585 1
	B3LYPultrafine					2.5910 1												2.6768 1
	B3PW91	2.5211 1	2.6435 1	2.6435 1	2.6277 1	2.6194 1	2.6194 1	2.6150 1	2.5904 1	2.5904 1	2.6038 1		2.5379 1	2.6033 1	2.5864 1
	mPW1PW91	2.5177 1	2.6384 1	2.6384 1	2.6230 1	2.6149 1	2.6149 1	2.6104 1	2.5865 1	2.5865 1	2.6000 1		2.5346 1	2.5993 1	2.5831 1		2.5907 1	2.5813 1
	M06-2X	2.5134 1	2.5967 1	2.5959 1	2.5838 1	2.5759 1	2.5759 1	2.5711 1	2.5486 1	2.5486 1	2.5694 1	2.5504 1	2.5088 1	2.5630 1	2.5494 1		2.5551 1	2.5474 1
	PBEPBE	2.5157 1	2.6316 1	2.6316 1	2.6136 1	2.6067 1	2.6067 1	2.6047 1	2.5826 1	2.5826 1	2.5947 1		2.5415 1	2.5934 1	2.5795 1		2.5869 1	2.5770 1
	PBE1PBE	2.5151 1	2.6361 1	2.6361 1	2.6193 1	2.6120 1	2.6120 1	2.6077 1	2.5839 1	2.5839 1	2.5970 1		2.5341 1	2.5965 1	2.5813 1		2.5884 1	2.5795 1
	HSEh1PBE	2.5165 1	2.6385 1	2.6385 1	2.6202 1	2.6123 1	2.6123 1	2.6082 1	2.5844 1	2.5844 1	2.5972 1		2.5355 1	2.5974 1	2.5820 1		2.5894 1	2.5802 1
	TPSSh					2.6793 1		2.6776 1			2.6732 1				2.6635 1
	wB97X-D			2.7054 1		2.7083 1		2.7030 1		2.6734 1			2.6522 1	2.7030 1	2.6782 1			2.6772 1
	B97D3		2.8668 1			2.8548 1		2.8559 1		2.8439 1		2.8410 1	2.9392 1		2.8421 1			2.9505 1		2.9508 1
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Moller Plesset perturbation	MP2	2.5745 1	2.7386 1	2.7386 1	2.7410 1	2.7117 1	2.6131 1	2.6000 1	2.6853 1	2.5608 1	2.5686 1		2.5713 1	2.5960 1	2.5433 1	2.5273 1	2.5781 1	2.5396 1	2.5268 1
	MP2=FULL	2.5727 1	2.7373 1	2.7373 1	2.7388 1	2.6038 1	2.6038 1	2.5896 1	2.5485 1	2.5485 1	2.5140 1		2.5681 1	2.5862 1	2.4912 1	2.4934 1	2.5284 1	2.4675 1	2.4892 1
	ROMP2	2.4954 1							2.5986 1	2.5986 1			2.5575 1		2.6116 1
	MP3					2.5806 1		2.6982 1
	MP3=FULL					2.6943 1		2.6872 1
	MP4		2.7640 1			2.5806 1				2.5309 1					2.5230 1
	B2PLYP=FULLultrafine					2.5990 1								2.5860 1	2.5527 1			2.5429 1
Configuration interaction	CID		2.8214 1	2.8214 1	2.8333 1	2.6098 1			2.5477 1
Configuration interaction	CISD			3.0115 1		2.7144 1			2.6349 1
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ
Quadratic configuration interaction	QCISD		3.0048 1	3.0048 1	3.0782 1	2.7152 1	2.7152 1	2.6959 1	2.6394 1	2.6394 1	2.6520 1		2.7186 1	2.6746 1	2.6280 1		2.6630 1	2.6255 1
Quadratic configuration interaction	QCISD(T)					2.6986 1							2.7020 1	2.6633 1	2.6171 1		2.6522 1	2.6150 1
Coupled Cluster	CCD		2.8214 1	2.8214 1	2.8332 1	2.6098 1	2.6098 1	2.5962 1	2.5477 1	2.5477 1	2.5632 1		2.6105 1	2.5841 1	2.5386 1		2.5708 1	2.5355 1
	CCSD					2.7167 1								2.6727 1	2.6246 1
	CCSD(T)					2.6990 1							2.6997 1	2.6615 1	2.6141 1	2.6020 1	2.6499 1	2.6121 1	2.6019 1
	CCSD(T)=FULL					2.6860 1							2.6937 1	2.6502 1	2.5458 1	2.5593 1	2.5973 1	2.5133 1	2.5541 1
		STO-3G	3-21G	3-21G*	6-31G	6-31G*	6-31G**	6-31+G**	6-311G*	6-311G**	6-31G(2df,p)	6-311+G(3df,2p)	TZVP	cc-pVDZ	cc-pVTZ	cc-pVQZ	aug-cc-pVDZ	aug-cc-pVTZ	aug-cc-pVQZ	daug-cc-pVTZ

		CEP-31G	CEP-31G*	CEP-121G	CEP-121G*	LANL2DZ	SDD	cc-pVTZ-PP	aug-cc-pVTZ-PP	Def2TZVPP
hartree fock	HF	2.8013 1	2.7643 1	2.7469 1	2.7268 1	2.7949 1	2.7887 1			2.7682 1
density functional	B3LYP	2.6286 1	2.6193 1	2.6043 1	2.5962 1	2.5957 1	2.6000 1			2.6798 1
density functional	PBEPBE									2.6825 1
Moller Plesset perturbation	MP2	2.7600 1	2.6047 1	2.6653 1	2.5565 1	2.7188 1	2.7020 1			2.6998 1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Comparison of levels of theory for Li-Be