! 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  -1.1356530029   0.7716803121  -2.8757723284
Cl  -5.1060435240   2.4703481272   0.2647519285
F    3.2200723760  -0.1714408971  -1.3542830139
F    3.7005701194   1.4432270808  -0.0035719108
F    4.6796614266  -1.9162916958   0.2054849315
F    5.2105613492  -0.2612867313   1.5268468485
O    2.5736652347  -0.3224254419   0.7856704230
N   -0.7551397695  -2.0678715419   0.3702524259
N   -0.4679138036  -2.2798823996   1.6579836939
N   -2.6399339597  -2.6835622255   1.2634021357
C    0.3849557002   0.0311004959  -0.3085087569
C    0.1905844027  -1.4780653532  -0.5441408674
C    1.3070675378   0.3464070262   0.8692880529
C   -0.9588922387   0.7039320439  -0.1599081896
C   -1.7340503740   1.0399327305  -1.2706315882
C   -1.5279624688   0.9401956686   1.0900204763
C    3.5213325354   0.1026499825  -0.0541879551
C   -3.0029109088   1.5848135530  -1.1568385660
C   -2.7927114451   1.4828829504   1.2383798337
C   -2.0517255136  -2.2948289356   0.1585818679
C   -3.5224296041   1.7994943195   0.1073757716
C    4.8525779761  -0.5777404104   0.2641349822
C   -1.6255327795  -2.6471406056   2.1463047024
H    0.8540357205   0.4213661002  -1.2126718887
H   -0.1910819530  -1.6450909955  -1.5490353903
H    1.1339060937  -2.0164370389  -0.4740637128
H    1.4431469320   1.4246295782   0.9615267964
H    0.9017483971  -0.0164644661   1.8090585289
H   -0.9854735297   0.6939562490   1.9916303535
H   -3.5745800572   1.8335933100  -2.0396173757
H   -3.1973680950   1.6488094264   2.2265849813
H   -2.5145718858  -2.1893157125  -0.8103139077
H    5.6397853479  -0.2770178058  -0.4270215342
H   -1.7406316425  -2.9061284482   3.1872613809
*
