next up previous contents index
Next: Up: Small molecule library Previous:   Contents   Index


$ \mathbf {Ethane}$

\includegraphics[width=0.25\columnwidth]{library_ethane.eps}
E = -67.095375
@nuclei
1.720577 -0.993379 -2.229169 1.000000
-0.078957 0.045584 -1.382389 6.000000
-0.028914 0.016696 1.428133 6.000000
-0.092933 2.148327 -2.164921 1.000000
-1.906975 -0.993687 -2.164916 1.000000
1.799304 1.055831 2.210475 1.000000
-0.014721 -2.086153 2.210480 1.000000
-1.828254 1.055547 2.275308 1.000000
@electrons
-0.078983 0.045599 -1.383893 1 0.328711
-0.078983 0.045599 -1.383893 -1 0.328711
-0.028888 0.016681 1.429637 1 0.328711
-0.028888 0.016681 1.429637 -1 0.328711
1.345455 -0.776802 -2.039092 1 1.549370
1.345456 -0.776802 -2.039092 -1 1.549370
-0.054008 0.031182 0.022884 1 1.291042
-0.054008 0.031182 0.022884 -1 1.291040
-0.089793 1.709529 -1.988221 1 1.549270
-0.089793 1.709529 -1.988221 -1 1.549270
-1.525395 -0.777006 -1.988217 1 1.549270
-1.525395 -0.777006 -1.988217 -1 1.549270
1.417699 0.839216 2.033824 1 1.549302
1.417699 0.839216 2.033824 -1 1.549302
-0.017929 -1.647366 2.033828 1 1.549302
-0.017929 -1.647366 2.033828 -1 1.549302
-1.453165 0.838989 2.085136 1 1.549339
-1.453165 0.838989 2.085136 -1 1.549339


Julius 2008-04-29