! 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  -5.3131383047   1.0021586062   0.7459101775
F   -0.0842358855  -0.3668820383  -1.9689975640
F   -0.7660717428  -2.3289761386  -1.4106610575
F   -2.0070373968  -1.0642220929  -2.6199486846
O    2.3717528248   1.9445496678   0.5535711094
N    2.5219369508  -0.8372440365   1.0392277513
N    0.2640841109  -0.9023109508   0.8624224093
N    3.9776908279  -2.4540916869   0.6710903282
C    1.2883202831  -0.1792906115   1.0323159875
C    1.3190508293   1.3208002288   1.2263395185
C    2.2429884118   1.9267984636  -0.8581004807
C   -1.0237482339  -0.3846306267   0.8217889904
C    3.3922255982   2.7017716108  -1.4625564010
C   -1.7855194530  -0.4895827592  -0.3484888647
C   -1.6202546585   0.1449403904   1.9633710800
C   -3.1021940090  -0.0537361876  -0.3713403112
C    3.7230749234  -0.4126635530   1.5726831534
C    3.3024925717   2.7336217955  -2.9797599299
C    2.7475818451  -2.0776636644   0.5103417972
C   -1.1637006646  -1.0637833953  -1.5845858924
C   -2.9355420034   0.5730952928   1.9480063359
C   -3.6676033396   0.4716371822   0.7776295190
C    4.5935401321  -1.4249732721   1.3447710232
H    1.4338729530   1.5332303903   2.2930323722
H    0.3488155859   1.7318761601   0.9239182623
H    1.2826317166   2.3709624637  -1.1519798584
H    2.2554513871   0.8966645402  -1.2390478675
H    3.3894566091   3.7215183937  -1.0702756838
H    4.3357814418   2.2433244389  -1.1564360838
H   -1.0508554270   0.2083874500   2.8812563696
H   -3.6934967359  -0.1210255127  -1.2733003952
H    3.8522539671   0.5261957785   2.0783412535
H    3.3217336212   1.7286585519  -3.4041801511
H    2.3840231456   3.2174529620  -3.3154799876
H    4.1386966085   3.2856538036  -3.4077171316
H    1.9731891123  -2.6309556199   0.0058662816
H   -3.3782439854   0.9815062128   2.8458306453
H    5.6326966372  -1.4718410071   1.6267621448
*