! 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  -1.5755759263   0.4135685072  -2.7499025598
Cl  -1.2509999179   4.9254241866   0.0937370703
F    3.2522935892  -0.8570855783  -0.9145531193
F    1.9677556596   0.8685112273  -0.7697511966
F    2.4335586544   1.0416932144   1.9211280932
F    4.2431182153   1.0512092242   0.6983631807
O    1.4259462359  -0.9868080707   0.3586472427
N   -1.4278867931  -3.2019839683   1.0086864410
N   -2.4272778881  -3.7697468539   0.3302151815
N   -0.9542224415  -5.3230682701   1.0041921818
C   -0.9269305239  -1.0933143355  -0.1518142729
C   -1.3325824037  -1.7691978439   1.1615205362
C    0.4776222012  -1.4842059284  -0.5974894953
C   -1.0512116027   0.4072224815  -0.0814066152
C   -1.3198030024   1.1755399989  -1.2129858094
C   -0.8323036175   1.0998157730   1.1059465985
C    2.4170976424  -0.1996484996  -0.0675116960
C   -1.3861293963   2.5586844094  -1.1763716824
C   -0.8906930260   2.4811547056   1.1787422126
C   -0.5578931568  -4.1353177132   1.3925428908
C   -1.1692456212   3.1996526658   0.0304770464
C    3.2260182612   0.2761881302   1.1379760204
C   -2.0979450994  -5.0349861089   0.3579420379
H   -1.6037206418  -1.4691732286  -0.9233107049
H   -0.6214413743  -1.5843619643   1.9647787240
H   -2.3005600416  -1.3958528784   1.4923832205
H    0.5932627830  -2.5682808147  -0.6426986622
H    0.6698786927  -1.1040221991  -1.6012522937
H   -0.6143928096   0.5598126309   2.0163813484
H   -1.6027267552   3.1219669092  -2.0730067334
H   -0.7166514165   2.9824003326   2.1200524163
H    0.3333900278  -3.9092113942   1.9566741496
H    3.6249597324  -0.5544977383   1.7195046421
H   -2.7178354574  -5.7875346349  -0.1031784049
*
