transition state for the SN2 reaction of CH3Cl with Cl-
  1.00000000000000
   12.0000000000000000    0.0000000000000000    0.0000000000000000
    0.0000000000000000   12.0000000000000000    0.0000000000000000
    0.0000000000000000    0.0000000000000000   12.0000000000000000
  C    H    Cl
    1     3     2
 Direct
 0.5850734246784209  0.5520914206000113  0.6939676081570985 ! coordinates for atom 1
 0.6198799799863561  0.5166828822917992  0.6192173893914401
 0.5120438703668218  0.5155341457726120  0.7311383922253840
 0.6232988535554732  0.6240585575728448  0.7315296645899942
 0.4727762112937258  0.6675904758190063  0.5870243322899322
 0.6973145053782144  0.4366510550400121  0.8010186348593505 ! coordinates for atom N
! unstable direction optimized by the dimer method
 0.50309310E+00 -0.52116977E+00  0.48103627E+00             ! components for atom 1
-0.29990134E-01  0.31072124E-01 -0.24160721E-01
-0.37734828E-01  0.43431417E-01 -0.39422281E-01
-0.41647034E-01  0.41752749E-01 -0.38921427E-01
-0.20205452E+00  0.20762993E+00 -0.17619553E+00
-0.19166655E+00  0.19728353E+00 -0.20233630E+00             ! components for atom N
