Back to Datasets	Unit:	Attention: Columns are sorted alphabetically	Save all structures (zip)			Show all hidden columns

system name	optimization level	Hide CCSD(T) /CBS noCPCCSD(T) /CBS noCP	Hide MP2 /CBS noCPMP2 /CBS noCP
2-aminoA...T	MP2/cc-pVTZ noCP		-19.5
2-aminoA...T pl	MP2/cc-pVTZ noCP		-19.7
2-thioU....2-thioU	MP2/cc-pVTZ noCP		-12.6
6-thioG...C WC	MP2/cc-pVTZ noCP		-29.5
6-thioG...G	MP2/cc-pVTZ noCP		-22.7
8-oxoG...C WC	MP2/cc-pVTZ noCP	-33.3
8-oxoG...G	MP2/cc-pVTZ noCP		-22.8
A...4-thioU WC	MP2/cc-pVTZ noCP		-14.2
A...A	Crystal, PDB ID 1ENN	-0.7
A...A S	artificial geometries, ba..	-8.58
A...A1	MP2/cc-pVTZ noCP		-14.5
A...A2	MP2/cc-pVTZ noCP		-13.7
A...A3	MP2/cc-pVTZ noCP		-12.2
A...C	MP2/cc-pVTZ noCP		-17.6
A...C S	Crystal, PDB ID 5DNB, Dic..	-6.7
A...difluorotoluene WC	MP2/cc-pVTZ noCP		-5.2
A...G	Crystal, PDB ID 5DNB, Dic..	-4.8
A...G S	NMR, hairpin, PDB ID 1PQT	-6.5
A...T S1	MP2/TZVPP noCP	-12.3
A...T S2	Crystal, PDB ID 1ENN	-8.1
A...T WC	MP2/TZVPP noCP	-16.86
AA0/3.24A//As	artificial geometries, ba..	-6.25
AA0/3.24A//Tis	artificial geometries, ba..	-1.71
AA0/3.24T//Ais	artificial geometries, ba..	-1.3
AA0/3.24T//Ts	artificial geometries, ba..	-3.86
AA20/3.05AAs2005	artificial geometries, ba..	-6.06
AA20/3.05ATis2005	artificial geometries, ba..	-2.34
AA20/3.05TAis2005	artificial geometries, ba..	-2.16
AA20/3.05TTs2005	artificial geometries, ba..	-4.18
ACst	artificial geometries, ba..	-10.22
AG08/3.19A//Cis	artificial geometries, ba..	-0.18
AG08/3.19A//Gs	artificial geometries, ba..	-7.58
AG08/3.19T//Cs	artificial geometries, ba..	-6.07
AG08/3.19T//Gis	artificial geometries, ba..	-0.47
AT10/3.26A//Ais	artificial geometries, ba..	-0.92
AT10/3.26A//Ts	artificial geometries, ba..	-6.64
AT10/3.26T//Tis	artificial geometries, ba..	0.88
AUst	artificial geometries, ba..	-9.79
C...A	NMR, hairpin, PDB ID 1PQT	-3
C...C	Crystal, PDB ID 5DNB, Dic..	1.4
C...C 11	NMR, hairpin, PDB ID 1PQT	3.1
C...C H+	MP2/cc-pVTZ noCP	-51.4
C...G S	NMR, hairpin, PDB ID 1PQT	-12.4
C...G WC	NMR, hairpin, PDB ID 1PQT	-30.7
CC 1	artificial geometries, mo..	2.45
CC 10	artificial geometries, mo..	-8.27
CC 11	artificial geometries, mo..	-9.43
CC 12	artificial geometries, mo..	-7.43
CC 13	artificial geometries, mo..	-8.8
CC 14	artificial geometries, mo..	-9.11
CC 2	artificial geometries, mo..	-3.85
CC 3	artificial geometries, mo..	-8.88
CC 4	artificial geometries, mo..	-9.92
CC 5	artificial geometries, mo..	0.32
CC 6	artificial geometries, mo..	0.64
CC 7	artificial geometries, mo..	-0.98
CC 8	artificial geometries, mo..	-9.1
CC 9	artificial geometries, mo..	-9.11
CCst	artificial geometries, ba..	-10.02
CG0/3.19C//Cis	artificial geometries, ba..	1.24
CG0/3.19G//Cs	artificial geometries, ba..	-7.88
CG0/3.19G//Gis	artificial geometries, ba..	-3.91
CUst	artificial geometries, ba..	-10.42
E47-K6(1IU5)	crystal structure of the ..	-80.73
E49-K6(1BQ9)	crystal structure of the ..	-113.35
E49-K6(1BRF)	crystal structure of the ..		-74.24
E50-K30(1BRF)	crystal structure of the ..	-60.36
E50-K52(1BRF)	crystal structure of the ..	-97.14
E54-K2(1SMM)	crystal structure of the ..	-88.29
F30-F49	X-ray structure, PDB ID 1..		-3.3
F30-K46	X-ray structure, PDB ID 1..	-3.1
F30-L33	X-ray structure, PDB ID 1..	-5
F30-Y13	X-ray structure, PDB ID 1..	-3.9
F30-Y4	X-ray structure, PDB ID 1..		-7
F49-C39	X-ray structure, PDB ID 1..		-2.1
F49-C6	X-ray structure, PDB ID 1..		-5
F49-K46	X-ray structure, PDB ID 1..		-4.8
F49-PB(V5_C6)	X-ray structure, PDB ID 1..	-8.2
F49-PB(Y4-V5)	X-ray structure, PDB ID 1..	-2.8
F49-V5	X-ray structure, PDB ID 1..		-6.7
F49-W37	X-ray structure, PDB ID 1..		-2.5
F49-Y4	X-ray structure, PDB ID 1..		-3.1
G...2-thioU wobble	MP2/cc-pVTZ noCP		-16.6
G...4-thioU wobble	MP2/cc-pVTZ noCP		-17.8
G...6-thioG	MP2/cc-pVTZ noCP		-21.8
G...A HB	NMR, hairpin, PDB ID 1PQT	-11.3
G...A1	MP2/cc-pVTZ noCP		-19.4
G...A1 pl	MP2/cc-pVTZ noCP		-18.9
G...A2	MP2/cc-pVTZ noCP		-14.4
G...A2 pl	MP2/cc-pVTZ noCP		-12.8
G...A3	MP2/cc-pVTZ noCP		-18.8
G...A4	MP2/cc-pVTZ noCP		-13.5
G...C S	MP2/TZVPP noCP	-19.02
G...C S1	Crystal, PDB ID 5DNB, Dic..	-7.9
G...C S2	NMR, hairpin, PDB ID 1PQT	-7.7
G...C S3	NMR, hairpin, PDB ID 1PQT	-11.6
G...C WC(1)	MP2/TZVPP noCP	-32.06
G...C WC(2)	NMR, hairpin, PDB ID 1PQT	-31.4
G...G 10	NMR, hairpin, PDB ID 1PQT	0.8
G...G 9	NMR, hairpin, PDB ID 1PQT	-5.2
G...G H-bond	MP2/cc-pVTZ noCP		-21.3
G...G interstrand	Crystal, PDB ID 5DNB, Dic..	-4.5
G...U wobble	MP2/cc-pVTZ noCP	-19.1
GA10/3.15A//Cis	artificial geometries, ba..	-0.31
GA10/3.15A//Gs	artificial geometries, ba..	-9.14
GA10/3.15T//Cs	artificial geometries, ba..	-4.69
GA10/3.15T//Gis	artificial geometries, ba..	0.58
GAst	artificial geometries, ba..	-11.38
GC0/3.25C//Cis	artificial geometries, ba..	3.09
GC0/3.25G//Cs	artificial geometries, ba..	-10.8
GC0/3.25G//Gis	artificial geometries, ba..	1.93
GCst	artificial geometries, ba..	-10.6
GG0/3.36CCs036	artificial geometries, ba..	-1.62
GG0/3.36CGis036	artificial geometries, ba..	-3.68
GG0/3.36GCis036	artificial geometries, ba..	-4.82
GG0/3.36GGs036	artificial geometries, ba..	-3.54
GGst	artificial geometries, ba..	-12.67
GT10/3.15A//Cs	artificial geometries, ba..	-5.44
GT10/3.15A//Gis	artificial geometries, ba..	-4.06
GT10/3.15T//Cis	artificial geometries, ba..	0.3
GT10/3.15T//Gs	artificial geometries, ba..	-4.96
GUst	artificial geometries, ba..	-12.09
I...C WC	MP2/cc-pVTZ noCP	-24.9
mA...mT H	MP2/TZVPP noCP	-18.16
mA...mT S	MP2/TZVPP noCP	-14.57
mA...mT WC(AC)	Crystal, PDB ID 5DNB, Dic..	-18.4
mA...mT WC(AT)	Crystal, PDB ID 1ENN	-16.4
mG...mC S	MP2/TZVPP noCP	-20.35
mG...mC WC	MP2/TZVPP noCP	-31.59
mG...mC WC*	Crystal, PDB ID 5DNB, Dic..	-35.8
T...C	Crystal, PDB ID 5DNB, Dic..	-0.1
T...G S	Crystal, PDB ID 5DNB, Dic..	-6.2
T...T	Crystal, PDB ID 1ENN	1
TA08/3.16A//Ais	artificial geometries, ba..	-1.55
TA08/3.16A//Ts	artificial geometries, ba..	-6.07
TA08/3.16T//Tis	artificial geometries, ba..	0.7
TG03.19A//Cs	artificial geometries, ba..	-4.96
TG03.19A//Gis	artificial geometries, ba..	-4.22
TG03.19T//Cis	artificial geometries, ba..	-1.15
TG03.19T//Gs	artificial geometries, ba..	-5.67
U...U “calcutta”	MP2/cc-pVTZ noCP	-10.3
U...U pl	MP2/cc-pVTZ noCP	-13.7
UUst	artificial geometries, ba..	-7.46

Benchmark Energy & Geometry Database