ncpchem:chfclbr
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CHFClBr B3LYP/cc-pVTZ equilibrium structure
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
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1 1 0 0.798116 0.872231 0.154514
2 6 0 0.023950 0.117874 0.084708
3 9 0 -1.111896 0.565832 0.648492
4 17 0 0.577722 -1.342224 0.932699
5 35 0 -0.287901 -0.213713 -1.820413
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