! wb97m-v ma-def2-qzvp SP TIGHTSCF SMD(benzene) %pal nprocs 10 end %maxcore 3500 *xyz 0 1 C -7.36321656848220 0.83609932607624 -7.82566132602789 C -7.45170859907847 0.27911976267440 -6.51631207369321 C -8.65085262421494 0.77388554105535 -5.89627298142380 C -9.29451860580311 1.63757995536353 -6.84414193382823 C -8.49572056430519 1.67933328261105 -8.02509956760776 H -6.55231184517864 0.67930595370267 -8.52451464017170 H -6.72903266823996 -0.38063893898702 -6.05484187967811 H -10.21298853660904 2.18356007210283 -6.68038789730105 H -8.69893557159059 2.27635895295450 -8.90433715393849 C -6.15325074097357 3.87080022821552 -6.89294803816559 C -7.31696288961578 4.36575385662469 -6.23336780203467 C -5.50236557672933 2.94842394095888 -6.02050313255899 H -5.84260891838598 4.11339384871925 -7.90079157775516 C -7.38968318315026 3.74854820250887 -4.95025745177219 H -8.03960844605458 5.05583078205717 -6.64801317083812 C -6.26474964645288 2.86361646015143 -4.80491720813504 H -4.62461258950957 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