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$ \mathbf {Propane}$

\includegraphics[width=0.3\columnwidth]{library_propane.eps}
E = -100.324380
@nuclei
-0.000001 1.779026 -2.398488 1.000000
0.000000 -0.056699 -0.975074 6.000000
2.451785 -0.030157 0.496432 6.000000
-2.451786 -0.030157 0.496432 6.000000
-0.000001 -1.937178 -2.336614 1.000000
2.571042 1.786700 1.786023 1.000000
4.178214 -0.039279 -0.845008 1.000000
2.586102 -1.813484 1.829799 1.000000
-2.571042 1.786701 1.786023 1.000000
-2.586102 -1.813484 1.829799 1.000000
-4.178213 -0.039279 -0.845008 1.000000
@electrons
0.000000 -0.056727 -0.976816 1 0.328201
0.000000 -0.056728 -0.976816 -1 0.328202
2.452998 -0.030141 0.497267 1 0.328680
2.452998 -0.030141 0.497267 -1 0.328680
-2.452998 -0.030141 0.497267 1 0.328680
-2.452998 -0.030141 0.497267 -1 0.328680
0.000000 1.433220 -2.114270 1 1.584211
0.000001 1.433222 -2.114270 -1 1.584202
1.218397 -0.043663 -0.220819 1 1.280554
1.218394 -0.043665 -0.220825 -1 1.280557
-1.218399 -0.043665 -0.220821 1 1.280549
-1.218392 -0.043662 -0.220821 -1 1.280553
-0.000000 -1.582048 -2.063824 1 1.583451
0.000001 -1.582048 -2.063824 -1 1.583450
2.533323 1.416643 1.518423 1 1.528665
2.533326 1.416647 1.518420 -1 1.528669
3.805593 -0.037487 -0.566465 1 1.501023
3.805592 -0.037488 -0.566462 -1 1.501021
2.545299 -1.450366 1.553226 1 1.528404
2.545302 -1.450369 1.553222 -1 1.528407
-2.533325 1.416648 1.518419 1 1.528668
-2.533324 1.416642 1.518424 -1 1.528666
-2.545301 -1.450370 1.553221 1 1.528405
-2.545300 -1.450364 1.553228 -1 1.528406
-3.805593 -0.037488 -0.566462 1 1.501019
-3.805594 -0.037487 -0.566464 -1 1.501024


Julius 2008-04-29