! 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   0.5487309287  -1.3544530822   2.4857484333
Cl   4.4495721514  -1.3564537552  -1.1425627015
O   -2.0084024671   0.1746939969  -0.9000302493
O   -1.9748346382  -1.0826796944   0.9380853536
N   -0.4961066849   2.2294055112   0.6017152281
N    0.7556901466   2.4175391689   1.0313829510
N    0.3456375350   3.6867007545  -0.7730691549
C   -1.2871440912  -0.0685205443   0.2743322164
C   -2.7425548589  -1.0021101297  -1.2513045265
C   -2.4587746418  -1.9446461533  -0.0765666112
C   -1.3304358469   1.1911304437   1.1474460638
C    0.1522728062  -0.4577878020  -0.0669859087
C   -4.2056576046  -0.6572629841  -1.4686447129
C   -4.9114927988  -0.0370471289  -0.2725497268
C    1.0332241859  -1.0119080424   0.8588917784
C    0.6544391190  -0.1816550553  -1.3348666185
C    2.3505310496  -1.2991530661   0.5368048342
C    1.9673562545  -0.4497710696  -1.6834207311
C   -0.7178212230   2.9805193768  -0.4790546121
C    2.8052232067  -1.0115008586  -0.7379356942
C    1.2126026447   3.2982085068   0.1813133492
H   -2.3349498091  -1.4188489593  -2.1768931717
H   -3.3433675993  -2.4608460701   0.2951539958
H   -1.7094077235  -2.6971988278  -0.3416059809
H   -0.9828348720   0.9769183996   2.1547481693
H   -2.3583677089   1.5472551308   1.2140205021
H   -4.7117986563  -1.5791978387  -1.7656186704
H   -4.2808592601   0.0146765531  -2.3273769023
H   -4.9008840159  -0.6869748235   0.6031730381
H   -4.4667892756   0.9169912479   0.0111245260
H   -5.9567369217   0.1558855201  -0.5131570930
H    0.0081992377   0.2608224133  -2.0791906661
H    3.0108435196  -1.7336277545   1.2742992036
H    2.3230411200  -0.2206276586  -2.6779514204
H   -1.6605445146   2.9972983719  -1.0015793431
H    2.2167467168   3.6844858742   0.2581086010
*