! 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   0.5768828607   0.8173298089  -2.3702216996
Cl   2.8725562948   4.4777796308   0.7391496497
O   -1.3179721664  -0.5679137912  -0.6019906866
O   -0.7551252334  -0.9991243765   1.5329643481
N   -0.0099425012  -3.0544490924  -0.3433866619
N   -0.1104526394  -3.9371529967   0.6548753257
N   -1.4169909288  -4.5450548161  -1.0654280774
C   -0.2356712488  -0.6848284188   0.2732450070
C   -2.5547840479  -0.7552202657   0.0808720820
C   -2.1224905514  -1.3514912518   1.4158528072
C    0.7003354097  -1.8114207455  -0.2023198204
C    0.5550022035   0.6149451710   0.3614297836
C   -3.3579325010   0.5311077114   0.1752504932
C   -2.6834865560   1.6836425643   0.9016321487
C    0.9439051659   1.3427981607  -0.7615370106
C    0.9286386994   1.1169045207   1.6042528357
C    1.6538659356   2.5296794591  -0.6554252615
C    1.6399632881   2.2965467384   1.7396548612
C   -0.7994189689  -3.4258849578  -1.3519624144
C    1.9922207894   2.9978706386   0.6009442777
C   -0.9559647251  -4.8085161312   0.1719231163
H   -3.1371525363  -1.4845652368  -0.4880102591
H   -2.6682894553  -0.9365430629   2.2646734240
H   -2.2471470899  -2.4377179552   1.4361269278
H    1.5078035699  -1.9519775722   0.5134039914
H    1.1521292025  -1.5621766204  -1.1602701670
H   -3.6296872422   0.8453117015  -0.8354574078
H   -4.2985191924   0.2774983123   0.6722193901
H   -2.4005248889   1.4277650012   1.9237825241
H   -1.7883311394   2.0223629393   0.3809609284
H   -3.3612511988   2.5354085884   0.9621797120
H    0.6540058436   0.5826922192   2.5014876279
H    1.9346061737   3.0774018614  -1.5438958386
H    1.9082812485   2.6586234345   2.7218794755
H   -0.8778991528  -2.8702771365  -2.2719442420
H   -1.2524112083  -5.6780941285   0.7362039398
*