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diphosphane/opt.xyz Secret

Created July 17, 2020 09:37
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opt.xyz
12
C 0.000000 1.391104 0.000000
C 1.204731 0.695552 0.000000
C 1.204731 -0.695552 0.000000
C -0.000000 -1.391104 0.000000
C -1.204731 -0.695552 -0.000000
C -1.204731 0.695552 0.000000
H 0.000000 2.473302 0.000000
H 2.141942 1.236651 0.000000
H 2.141942 -1.236651 0.000000
H -0.000000 -2.473302 0.000000
H -2.141942 -1.236651 -0.000000
H -2.141942 1.236651 0.000000
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