***,CASpt2 single point calculation input file

 memory,500,m

 print, basis, orbitals

 file,2, 2-12-10-11ts-mp.wfu,new

 angstrom

 geomtyp=XYZ

 geometry={
 19
 Cartesian coordinates:
  C        1.861321   -0.845155    0.289844
  C        0.539655   -1.436587    0.004867
  C       -0.633072   -0.736099    0.008162
  C       -0.613977    0.730015    0.071318
  C        0.557927    1.455944    0.048556
  C        1.874209    0.899867   -0.072293
  H       -1.902524   -2.489011   -0.184765
  H        1.840811   -0.460927    1.351651
  H        0.535596   -2.507956   -0.175981
  C       -1.906635   -1.407277   -0.110229
  C       -1.884301    1.408242    0.091860
  H        0.521381    2.539295   -0.006938
  C       -3.052953    0.718997    0.013004
  C       -3.071205   -0.713539   -0.101065
  H       -1.886038    2.489990    0.160138
  H       -3.995024    1.255694    0.026102
  H       -4.021552   -1.228089   -0.175635
  O        2.924602    1.430840   -0.236889
  O        2.935591   -1.436520   -0.070451
 }

 basis=6-31G*

 {rhf;occ,42; closed,41; wf,83,1,1}

 basis=6-311G**

 {rhf;start,2100.2}

 {multi; frozen, 12; occ,46; closed,37;wf,83,1,1}

 {rs2c; core, 12; occ,46; closed,37;wf,83,1,1}

