Accuracy
5 Guanine trimer
93 5 Guanine trimer
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -2.1 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
0SCF HTML
5 Guanine trimer
H=-2.1+"5 Guanine trimer separated.mop" HR=CCSDT HWT=5
N 6.39200000 +0 8.21500000 +0 35.83000000 +0
C 7.16600000 +0 7.12400000 +0 35.51900000 +0
N 6.95200000 +0 6.08400000 +0 36.26600000 +0
C 5.94400000 +0 6.48800000 +0 37.13700000 +0
C 5.33800000 +0 5.82200000 +0 38.20400000 +0
O 5.49200000 +0 4.68800000 +0 38.60700000 +0
N 4.39500000 +0 6.66100000 +0 38.87100000 +0
C 4.08000000 +0 7.95800000 +0 38.55900000 +0
N 3.19600000 +0 8.62400000 +0 39.32200000 +0
N 4.63200000 +0 8.59200000 +0 37.52600000 +0
C 5.58100000 +0 7.80300000 +0 36.88200000 +0
H 6.36000000 +0 9.11500000 +0 35.37000000 +0
H 3.90500000 +0 6.20100000 +0 39.66300000 +0
H 7.89400000 +0 7.17000000 +0 34.71900000 +0
H 2.99800000 +0 9.57600000 +0 39.05500000 +0
H 2.76900000 +0 8.21300000 +0 40.15900000 +0
N 6.66500000 +0 8.85300000 +0 40.55300000 +0
C 7.63500000 +0 8.23800000 +0 39.87900000 +0
N 7.80700000 +0 6.98200000 +0 40.23200000 +0
C 6.86500000 +0 6.76600000 +0 41.22300000 +0
C 6.57100000 +0 5.61200000 +0 41.96300000 +0
O 7.10300000 +0 4.48500000 +0 41.89700000 +0
N 5.52200000 +0 5.85900000 +0 42.88200000 +0
C 4.90700000 +0 7.08800000 +0 43.07500000 +0
N 4.06700000 +0 7.17600000 +0 44.05300000 +0
N 5.15100000 +0 8.14800000 +0 42.35400000 +0
C 6.15900000 +0 7.91300000 +0 41.45100000 +0
H 6.29200000 +0 9.78200000 +0 40.41000000 +0
H 5.26500000 +0 5.06900000 +0 43.49500000 +0
H 8.20200000 +0 8.73300000 +0 39.10200000 +0
H 3.86200000 +0 6.41300000 +0 44.70100000 +0
H 3.57600000 +0 8.05100000 +0 44.16100000 +0
N 6.80700000 +0 8.07600000 +0 45.80300000 +0
C 7.70100000 +0 8.11900000 +0 44.79100000 +0
N 8.17000000 +0 6.96000000 +0 44.52200000 +0
C 7.59700000 +0 6.10300000 +0 45.43100000 +0
C 7.78100000 +0 4.66500000 +0 45.63800000 +0
O 8.50600000 +0 3.87000000 +0 44.93600000 +0
N 7.04200000 +0 4.20000000 +0 46.73300000 +0
C 6.20300000 +0 5.00300000 +0 47.48400000 +0
N 5.59300000 +0 4.38300000 +0 48.50400000 +0
N 6.02000000 +0 6.30300000 +0 47.24600000 +0
C 6.75400000 +0 6.77000000 +0 46.22600000 +0
H 6.27100000 +0 8.83900000 +0 46.19500000 +0
H 7.06700000 +0 3.17700000 +0 46.90900000 +0
H 7.92500000 +0 9.03300000 +0 44.25700000 +0
H 5.65400000 +0 3.37100000 +0 48.66400000 +0
H 4.91600000 +0 4.92500000 +0 49.02000000 +0