Back to Features of PM6
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I.P.: 10.7 eV, REF: D. B. Chambers, G. E. Coates, F. Glonkling, J. Chem. Soc., A. 741 (1970).
SYMMETRY Dimethylberyllium I=10.67 IR=CCG1970 Be 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.71617360 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.71617360 +0 180.0000000 +0 0.0000000 +0 1 2 0 0.0000 H 1.09329881 +1 111.6875388 +1 0.0000000 +0 2 1 3 0.0000 H 1.09329881 +0 111.6875388 +0 -60.0000000 +0 3 1 4 0.0000 H 1.09329881 +0 111.6875388 +0 120.0000000 +0 2 1 4 0.0000 H 1.09329881 +0 111.6875388 +0 -120.0000000 +0 2 1 4 0.0000 H 1.09329881 +0 111.6875388 +0 180.0000000 +0 3 1 4 0.0000 H 1.09329881 +0 111.6875388 +0 60.0000000 +0 3 1 4 0.0000