<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:10pt"><br><div style="font-family: verdana, helvetica, sans-serif; font-size: 10pt;"><div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><div class="y_msg_container"><br>Dear molpro users,<br> i am caluclating nonadiabatic coupling matrix elemant of some  molecule as given according to the<br>example mentioned in the manual and i am getting  zero  in the output<br>file..<br><br> advance thanks and a lot of appreciation for the users whu help me in<br>getting out of zero <br> <br><br>basis=VDZ                                                   !use cc-pVDZ basis set
<br>r=[11.0,11.5,12.0,12.5]                       !define bond distances <br>dr=0.1                                                           !define increment <br>geometry={c1;c2,c1,r1;h,c1,r2,c2,theta}     !Z-matrix geometry input <br>  <br>theta=71.65,r1=2.37,r2=3.98                        !reference geometry <br>  <br>r2c2h=3.98                              
                   !first calculation at R=3.98<br>{hf;occ,6,1}                                                !SCF <br>{multi;closed,4;                                          !CASSCF, 4 inactive orbitals <br>wf,13,2,1;state,2;                                       !1B2 and 2A1 states
<br>orbital,2140.2}                                           !dump orbitals to record 2140.2 <br> <br>do i=1,#r                                                       !loop over geometries <br>r2c2h=r(i)                                                    !set bond distance
<br>{multi;closed,4;                                             !CASSCF, 4 inactive orbitals <br>wf,13,2,1;state,2;                                         !1B2 and 2A1 states <br>orbital,2140.2}                                               !Overwrite previous orbitals by present ones <br><br>output<br><br>     R  NACME1P  NACME1M  NACMEAV  NACME2<br>   
 11.0      0.0      0.0      0.0     0.0<br>    11.5      0.0      0.0      0.0     0.0<br>    12.0      0.0      0.0      0.0     0.0<br>    12.5      0.0      0.0      0.0     0.0<br></div> </div> </div>  </div></body></html>