Fix bug in gemoetry detection for CH4 molecule
Fix bug in gemoetry detection for CH4 molecule

gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf