! 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  -4.7452100226   1.6660231661   0.7301956949
F    0.1469400644  -0.6987178809  -1.9577640376
F   -0.8077901187  -2.4717491304  -1.2104496376
F   -1.8819672473  -1.1375377052  -2.5029071906
O    0.9734280059   1.6094609077   0.2705744254
N    2.6871154443  -1.5479620422   0.7927843227
N    0.4809380817  -1.0553909355   0.9460669728
N    4.7203435242  -2.4049646996   0.7124747740
C    1.6337430017  -0.6360738772   0.6593799035
C    2.0489904858   0.7328463853   0.1770898021
C    0.8350705013   2.5241496829  -0.8007309268
C   -0.7063518643  -0.3470759574   0.8547783103
C    1.8620818796   3.6419111588  -0.7753261951
C   -1.5029489010  -0.4184911697  -0.2936984397
C   -1.2053257612   0.3222095628   1.9712472053
C   -2.7434017532   0.2072587011  -0.3316550409
C    2.5764967411  -2.8614960645   1.2028895296
C    1.6097846135   4.6444050553  -1.8910140357
C    4.0093583561  -1.3396277578   0.5094847813
C   -1.0166473682  -1.1786055317  -1.4862262293
C   -2.4368764802   0.9437736669   1.9371724590
C   -3.1990079137   0.8882653756   0.7798378983
C    3.8323756429  -3.3624842476   1.1466083631
H    2.4214423783   0.6296590190  -0.8508961689
H    2.8944719858   1.0752473645   0.7849823401
H   -0.1708949997   2.9384471815  -0.7048633043
H    0.8766842842   1.9962752477  -1.7616794245
H    1.8230973375   4.1452937643   0.1940221345
H    2.8696349928   3.2280029300  -0.8776069523
H   -0.6103489057   0.3617159918   2.8734370313
H   -3.3570022973   0.1644401030  -1.2203467701
H    1.6374431958  -3.2997173048   1.4885992882
H    0.6260787052   5.1074412475  -1.7956438103
H    2.3509638679   5.4431491699  -1.8757969709
H    1.6581423653   4.1711061234  -2.8732389088
H    4.3969067938  -0.3971238452   0.1591523563
H   -2.7979297776   1.4700817646   2.8102170605
H    4.1543998901  -4.3603121946   1.3963665044
*