! 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  -6.0899751097  -2.1011143585   1.6749206379
F    2.0415983008  -1.2714000624   1.8063908971
F    1.1859605148  -2.8017266022   0.5950731708
F    3.1503510443  -2.1209635043   0.1485269356
O    3.8764247736   0.3851066510   0.6895429070
O   -1.9276844294  -0.2854804102  -2.0263625535
N    2.5744320817   3.0214703956   0.2851044904
N    2.3929820755   2.6320482493   1.5519946942
N    0.7958776702   4.0794980292   0.9483796371
C    3.4682697697   0.8682332675  -0.5673770697
C    2.0406588703   0.4330812073  -0.9258721534
C    3.5881277970   2.4098273471  -0.5426366873
C    4.4520339479   0.3467809618  -1.6087656813
C    1.3484065580  -0.6686150063  -0.3921792840
C    1.3666141616   1.1895442073  -1.8846193776
C    0.0204202058  -0.9016049851  -0.7464125528
C    0.0523065081   0.9639657701  -2.2431766600
C   -0.6329595902  -0.0731612159  -1.6414913532
C    1.9481516456  -1.6962269188   0.5409146597
C    1.6095418469   3.8696840815  -0.0602276327
C    1.3206294160   3.2955242757   1.9046234639
C   -2.8564497849  -0.7130864985  -1.1128145191
C   -3.7972637471  -1.6315948777  -1.5527950787
C   -2.9096553127  -0.2126374550   0.1814803470
C   -4.8011334911  -2.0552738793  -0.6966411646
C   -3.9058060401  -0.6459327129   1.0419015920
C   -4.8440557602  -1.5642051256   0.5979011411
H    4.5741917843   2.6629622877  -0.1511530423
H    3.5201948679   2.8577309825  -1.5309983298
H    4.4697147182  -0.7416602021  -1.6215608634
H    4.1786474472   0.6874199202  -2.6068298899
H    5.4618061870   0.7019788736  -1.3956987485
H    1.8736461842   2.0036555318  -2.3829157233
H   -0.5144067589  -1.7447212377  -0.3333289668
H    3.4084847992   0.8934788815   1.3710265441
H   -0.4303725478   1.5935269037  -2.9786988651
H    1.5471234550   4.3180955609  -1.0390795925
H    0.9021506890   3.2073407061   2.8945083646
H   -3.7523754613  -2.0135521482  -2.5637477186
H   -2.1904227326   0.5158971627   0.5320031834
H   -5.5357551998  -2.7691715688  -1.0419226706
H   -3.9474505719  -0.2572815260   2.0496990761
*
