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H-C-C-C-C--H r*=4.5: geometry from Chem Phys Lett 169, p121 (1990)
6
1,0,0,0,0,0,1.008
2,1,0,0,1.06,12.0
3,2,180,0,1.21,12.0
4,3,180,0,1.38,12.0
5,4,180.0,0,1.21,12.0
6,5,180.0,0,4.5,1.008
0

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