! 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  -4.8777736457  -0.7566752921   0.0148236231
Cl   5.3460984273   1.2577627723   0.3391182452
F    1.5936586636  -1.7967054009  -0.9267325463
O    4.2010959237  -1.2017926645  -0.8134160210
O   -4.2990492993   2.1864987824   0.4965846110
O   -3.2371063313   2.6275564895  -1.4238411805
N   -1.2926622754   0.9302401087  -0.1831111543
N   -2.8280344249  -2.8398250357   0.6232337940
C    0.9562343302   0.2174439415   0.1256180673
C   -0.4875451014  -0.0997255930   0.0826270540
C    1.9352928166  -0.6377113883  -0.3561641950
C   -0.9619612878  -1.3675027659   0.3584406225
C    1.3821105307   1.4325757165   0.6624242502
C   -2.3405990176  -1.6207960421   0.3516025976
C    3.2922989163  -0.3396139175  -0.3042278297
C   -2.5983317891   0.7165558350  -0.1631194123
C    2.7214172002   1.7640120694   0.7356432420
C   -3.1696564442  -0.5171288018   0.0828256421
C    3.6701960559   0.8716560072   0.2613970460
C   -3.4151289438   1.9403075936  -0.4510448257
C    4.6528289950  -2.1882807552   0.1168793740
H   -0.2890919260  -2.1771616447   0.6038971525
H    0.6464926276   2.1278158978   1.0405763380
H    3.0254834226   2.7062409991   1.1686198895
H   -2.1995904770  -3.6224529993   0.6804774317
H   -3.8012963033  -3.0517185746   0.4905877691
H    3.8362456740  -2.8317883152   0.4499983800
H    5.1221115613  -1.7310083779   0.9902072971
H    5.3910950915  -2.7960863919  -0.4007550700
H   -4.8143697016   2.9817861305   0.2854028863
*
