Accuracy
01_NH3_dimer
1 01 Ammonia dimer
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -3.2 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
PM7
01 Ammonia dimer
H=-3.17+"01_NH3_DIMER SEPARATED.MOP" HR=CCSDT HWT=5
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.01250903 +0 0.0000000 +0 0.0000000 +0 1 0 0
H 1.01250903 +0 106.1768297 +0 0.0000000 +0 1 2 0
H 1.01417447 +0 106.6318083 +0 -113.4336559 +0 1 2 3
N 2.50402363 +0 121.8395888 +0 -123.4388453 +0 4 1 2
H 1.01250903 +0 126.8368525 +0 87.4658892 +0 5 4 1
H 1.01417447 +0 58.1604112 +0 0.0000000 +0 5 4 1
H 1.01250903 +0 126.8368525 +0 -87.4658892 +0 5 4 1