! 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   2.3973338063   3.6641191845  -1.7913241732
Cl   0.4554386681   4.6642146022   0.4737597754
F    5.0588488005  -3.0201432896  -0.0020037163
F   -2.0975379704  -0.8470614915   2.6205131057
F   -2.5287507278  -2.8550785172   1.8925164854
O   -0.4175081106  -0.6120766122  -1.7318645662
N   -0.3260911080  -1.8986995688   0.1211722039
N   -4.4284818921  -0.1300240119  -0.9083287507
N   -4.4765734659  -0.5969366528   0.3315259503
C    1.9932624959  -1.1094870020   0.1096293393
C    1.0585090520  -2.1511216322   0.0748234403
C   -2.4029091999  -0.8516599963  -0.5088884126
C    1.5941228493   0.3095802943   0.2060888768
C   -3.2653005871  -1.0397146975   0.5978081212
C   -0.9766286815  -1.1064594275  -0.7638132870
C   -3.2151726778  -0.2533496408  -1.4512318720
C    3.3494728343  -1.4222402826   0.0634923032
C    1.4915627115  -3.4704787332   0.0265932688
C    2.0990164178   1.2230606144  -0.7115881689
C    0.7377281895   0.7610156173   1.2066052699
C    3.7471062810  -2.7419625632   0.0203635144
C    2.8409080288  -3.7812709174   0.0114709765
C   -3.0325508498  -1.5819785877   1.9578853694
C   -5.5999658134   0.4492569048  -1.5303990921
C    1.7555856635   2.5621343450  -0.6340172964
C    0.3898088238   2.0977448416   1.2833885026
C    0.8952816169   3.0040013035   0.3636205607
H   -0.8630710265  -2.4663550659   0.7570005704
H   -3.0008144278   0.0784464852  -2.4541196422
H    4.0922094846  -0.6354730960   0.0965523829
H    0.7620028299  -4.2690254322  -0.0069292921
H    2.7549620576   0.8896587313  -1.5048072365
H    0.3443144250   0.0740619584   1.9420720976
H   -3.9474039630  -1.6086369531   2.5479256870
H    3.1751869294  -4.8092828702  -0.0211415257
H   -5.8720179779  -0.1110170791  -2.4213566407
H   -6.4205350271   0.4131566133  -0.8222079661
H   -5.4079132370   1.4845158272  -1.8011697090
H   -0.2724581396   2.4416876150   2.0657913033
*