! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.1421273464  -0.7020361765  -0.1372302726
O    1.4741709068   0.9597600321  -0.2412284082
O    2.3533159128  -0.6325173373   1.6418505696
O    3.3732286768  -1.9993907580   0.1938459249
C    2.5092668861   0.0814879928  -0.6166285416
C    0.1909462901   0.5191127639  -0.2339082529
C   -0.7789549003   1.4502642924   0.1606468866
C   -0.1819288021  -0.7704567303  -0.6003163156
C    3.7665909245   0.9107126512  -0.8219376170
C   -2.1081127324   1.0476924489   0.1830578568
C   -0.4311762036   2.8522332584   0.5704295455
C   -1.5145585913  -1.1543676235  -0.5738130622
C   -2.4708198862  -0.2395858648  -0.1787085585
C    2.7805237981  -0.9769686274   0.4404599197
H    2.2741941907  -0.4318533122  -1.5543554730
H    4.0755657785   1.4125363487   0.0947075429
H    3.5913366004   1.6613276468  -1.5912725739
H    4.5815414295   0.2726326001  -1.1585856846
H    0.5421497262  -1.5067057419  -0.9212666719
H   -2.8661237103   1.7585214020   0.4878709113
H   -1.1003199882   3.5683182050   0.0926906054
H   -0.5433766159   2.9797372737   1.6488877591
H    0.5871854936   3.1314766701   0.3136482527
H   -1.7875354222  -2.1593380916  -0.8637557531
H    2.5795408756  -1.3212504731   2.2869555829
*
