PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Pt4r
7792 Platinum tetramer (Geo)
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REF: Density Functional Theory Electronic Structure Program (DMOL), B. Delley, J. Chem. Phys. 113, 7756 (2000).
SYMMETRY UHF FIELD=(0.1,0.2,0.3) TRIPLET RELSCF=50 PM7
Platinum tetramer
<Pt-Pt> GR=DMOL GWT=0.25
Pt 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Pt 2.62900000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Pt 2.62900000 +1 60.0000000 +1 0.0000000 +0 2 1 0
Pt 2.62900000 +1 60.0000000 +1 60.0000000 +1 2 1 3