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Input/benz rhf2.com

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%chk=benz_rhf %mem=30000000

  1. P RHF/STO-3G

Pop=Full Nosymm

S0 Benzene D6h geometry

0 1 1 .000000 2.463711 .000000 6 .000000 1.377750 .000000 6 .000000 -1.377750 .000000 6 1.193166 .688875 .000000 6 -1.193166 .688875 .000000 6 -1.193166 -.688875 .000000 6 1.193166 -.688875 .000000 1 2.133636 1.231855 .000000 1 -2.133636 1.231855 .000000 1 -2.133636 -1.231855 .000000 1 2.133636 -1.231855 .000000 1 .000000 -2.463711 .000000