! 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  -4.1045018005   2.7330155722   0.6354372250
N   -0.1477933387  -2.0642904499  -0.4325359246
N    0.2512895248  -2.2589219916  -1.6945851545
N   -1.9886770496  -2.3183548913  -1.5600294640
N    2.4489010450   0.1521109721   2.8644719124
C    1.1518149429  -0.2266331960   0.6250489243
C    2.0920675513   0.1489072277  -0.5410163180
C    0.7683216191  -1.7367496325   0.6247233102
C    3.4798484817  -0.4771606738  -0.4881625010
C   -0.1333947731   0.5935570026   0.6375292823
C    4.2875509420  -0.1468601884  -1.7378744593
C    1.8757129025  -0.0011164862   1.8776611209
C   -0.6812934771   1.0726278334  -0.5478087107
C   -0.8419028277   0.7811720958   1.8208859946
C    5.7115569342  -0.6750289957  -1.6677573247
C   -1.9023430449   1.7291408377  -0.5553610860
C   -2.0601540983   1.4408363642   1.8306897356
C   -1.4813584313  -2.0866718896  -0.3758573043
C   -2.5823798828   1.9096130823   0.6365303419
C   -0.8841393461  -2.4084689857  -2.3248744767
H    2.1883344462   1.2366923589  -0.5594867858
H    1.6103277600  -0.1405158395  -1.4749370606
H    0.2864049747  -1.9938107567   1.5666680450
H    1.6536188498  -2.3622044562   0.5315819545
H    3.4127689585  -1.5645200592  -0.3895978221
H    4.0217254731  -0.1190639421   0.3920859317
H    4.3070652152   0.9373383821  -1.8820239928
H    3.7828745793  -0.5625764671  -2.6146654722
H   -0.1726145945   0.9416629705  -1.4927833811
H   -0.4549220147   0.4132766409   2.7632478645
H    6.2572737207  -0.2322112623  -0.8325194026
H    6.2659592564  -0.4485647621  -2.5791632628
H    5.7285423762  -1.7582563261  -1.5337860458
H   -2.3119783866   2.0923635894  -1.4876069834
H   -2.5910242309   1.5810213148   2.7620478257
H   -2.0318279693  -1.9533546208   0.5424110580
H   -0.9168342513  -2.5995986244  -3.3859302389
*