! 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
F    3.9079087123   1.6645176257   1.6442118655
F    1.7954251474   2.1552161005   1.9021711891
O    2.3573808065  -0.7873763167   2.4197346905
N    0.5726028889  -1.8487416243   1.5642036299
N    2.0867538919   0.1561612842  -1.9348919700
N    2.5246139633   1.2341706346  -1.2978632460
C   -2.2890403350   1.0721481090  -0.2314418995
C   -1.5974695467   0.3649340543   0.9601188583
C   -3.3570545446  -0.0279154092  -0.3970862043
C   -2.7829958828   0.2535134550   1.9493609516
C   -3.9916552056  -0.0151052835   1.0165654548
C   -1.4120871191  -1.0216319387   0.3985416449
C   -2.4970464741  -1.2594555332  -0.4515428056
C   -1.3977512474   1.3975540138  -1.4280770609
C   -0.4962044752  -2.0260435404   0.6504144678
C   -2.6741848349  -2.4817956605  -1.0665309698
C   -0.5918287117   2.6601557596  -1.1393406282
C   -2.1996360986   1.5706213005  -2.7124097902
C   -0.6627119315  -3.2625119998   0.0211542521
C   -1.7354359308  -3.4857185689  -0.8276421087
C    1.6042279716  -0.9834721841   1.4720893847
C    1.8269844323  -0.3090735606   0.1840871619
C    2.3954547476   0.9655697343  -0.0159975188
C    1.6418227414  -0.7881409586  -1.0968019487
C    2.7778405536   2.0078482626   0.9667799056
C    2.0047687671   0.1304643426  -3.3791751711
H   -2.7658981196   2.0017750800   0.1036564111
H   -0.7099399882   0.8443883340   1.3709343128
H   -4.0768449883   0.0856817556  -1.2058247481
H   -2.9046720923   1.1907797615   2.4943288619
H   -2.6308356828  -0.5334944193   2.6882266727
H   -4.5065688792  -0.9488035634   1.2434983087
H   -4.7277949681   0.7872924010   1.0855514292
H   -0.6971656359   0.5698513903  -1.5814084208
H   -3.5218373535  -2.6658973809  -1.7149455679
H   -0.0437301999   2.5909106187  -0.1993771784
H    0.1365111227   2.8574551371  -1.9276936830
H   -1.2505008406   3.5300780778  -1.0717428377
H   -1.5521505312   1.8823437371  -3.5347367423
H   -2.6870635072   0.6445403063  -3.0200360657
H   -2.9742849447   2.3334607671  -2.6006337280
H    0.0596546344  -4.0493403271   0.1974984213
H   -1.8422812308  -4.4500355429  -1.3068701996
H    0.5273681663  -2.3788048549   2.4247152423
H    1.2519111667  -1.7241099377  -1.4622377391
H    2.9474981456   2.9714029361   0.4859487248
H    0.9668091951   0.1772738586  -3.7038955994
H    2.5394573768   0.9884636969  -3.7720407042
H    2.4593297362  -0.7787881046  -3.7641513049
*