Next: Up: Small molecule library Previous: Contents Index

$\mathbf {H_{2}}$

$\includegraphics[width=0.12\columnwidth]{library_h2.eps}$

E = -0.955935
@nuclei
-0.137025 0.000000 0.000000 1.000000
1.337025 0.000000 0.000000 1.000000
@electrons
0.600001 0.000000 0.000000 1 1.771521
0.599999 0.000000 0.000000 -1 1.771521

Julius 2008-04-29