! 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  -5.3582619578   1.1743335331  -0.4950775466
F   -0.8598580549  -2.7628985298   0.2493569686
F   -0.2858566570  -1.2933285408   1.7105883308
F   -2.2277492052  -2.2010131963   1.8023954221
O    2.2577116819   2.0689344648   0.5549620016
N    2.5475574403  -0.2586175044  -1.0399430429
N    0.2907141387  -0.4322467128  -0.9916490565
N    4.6928822107  -0.4650150489  -1.5163032769
C    1.2944054481   0.3201507677  -0.8227416772
C    1.2881361910   1.7774196235  -0.4074119653
C    1.9462637250   1.5724796073   1.8468720177
C   -1.0180058050   0.0003953909  -0.8384315254
C    3.1419858119   1.7582576877   2.7529206532
C   -1.8582201808  -0.6361095401   0.0843828844
C   -1.5572129756   0.9854156060  -1.6628006370
C   -3.1896786634  -0.2645701318   0.1952517980
C    2.7956599581  -1.6124178726  -1.1583751438
C    4.3556737069   0.9445286291   2.3296733910
C    3.7388032866   0.3764190341  -1.2653969708
C   -1.3089902232  -1.7222717280   0.9588543862
C   -2.8876492299   1.3505146159  -1.5648495769
C   -3.6947717863   0.7251901750  -0.6305122918
C    4.1150896358  -1.7117585432  -1.4420797461
H    0.2824736823   2.0400817558  -0.0607925964
H    1.4925032047   2.3959205380  -1.2859509025
H    1.6852027293   0.5068012374   1.8039274059
H    1.0704264004   2.0995970028   2.2451307660
H    3.3957072783   2.8199245956   2.8122252887
H    2.8310331390   1.4626280152   3.7576538130
H   -0.9304322720   1.4605348286  -2.4060716467
H   -3.8407591012  -0.7401520292   0.9147388404
H    2.0274999861  -2.3517768019  -1.0182715524
H    4.1144086691  -0.1184634095   2.2646219076
H    4.7394132527   1.2546264645   1.3577367612
H    5.1670915536   1.0531176148   3.0498661065
H    3.8464429832   1.4471251086  -1.2653992701
H   -3.2840950140   2.1180421361  -2.2146339805
H    4.6880245413  -2.6114975554  -1.5966816611
*
