! 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  -0.9021043226   0.6664827451   2.1790087201
Cl  -5.3101884946  -0.9226520950  -0.4297240938
O    0.8692447239  -2.2334461434   0.1040584306
N    1.4581730456  -1.0241625360  -0.1306951962
N    4.4298813104   1.8433166857   1.0350219098
C    1.1057516733   1.2954338403  -0.6171297590
C    0.6151970924  -0.0929741306  -0.3248745119
C   -0.8508064581  -0.3071755504  -0.3367089210
C    2.5843818826   1.4648518322  -0.4528791361
C   -1.6432377272   0.0234562138   0.7544945242
C   -1.4703315823  -0.8431400151  -1.4604158606
C    3.4616508926   1.3626287673  -1.5225945894
C    3.1311770313   1.7067910443   0.8018608581
C   -3.0170753271  -0.1564134544   0.7422499847
C   -2.8401269300  -1.0355134431  -1.5026195076
C   -3.5991634669  -0.6882300337  -0.3960896241
C    4.8218415752   1.5056012930  -1.2964190482
C    5.2553290346   1.7402547292  -0.0024972122
C    1.8583402905  -3.2368654890   0.2390311506
H    0.8032830704   1.5492883160  -1.6376077144
H    0.5687428149   1.9970317030   0.0272627044
H   -0.8709503314  -1.1106725547  -2.3204635667
H    3.0861826799   1.1765214262  -2.5213734407
H    2.4771213894   1.7966875100   1.6637730831
H   -3.6157767413   0.1071050270   1.6028349036
H   -3.3049179141  -1.4527971570  -2.3846063192
H    5.5343392864   1.4349346867  -2.1064870030
H    6.3123680278   1.8526104269   0.2072656825
H    2.5137083638  -3.0530524722   1.0930649901
H    2.4657919371  -3.3340859312  -0.6633130835
H    1.3215323141  -4.1693042850   0.4020931049
*
