! 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  -5.0729491306   1.5120222156   0.5728885203
F   -1.2295441222  -3.0654962634  -0.1428109547
F   -2.6364530692  -2.4558775530  -1.6438132500
F   -0.5886544622  -1.8229836172  -1.7784934697
O    2.0029668008   2.0314385682   0.2392369005
N    2.6054623247  -0.8799729101   0.4253745681
N    0.3553205227  -0.7815695961   0.7129100461
N    4.7743912922  -1.2900320633   0.3660659965
C    1.3852275434  -0.2346838876   0.2233317742
C    1.4322498179   1.0399387413  -0.5772607118
C    1.9615420198   3.3281933731  -0.3414809559
C   -0.9023100548  -0.1965752950   0.6242165972
C    2.9979841443   3.5535971345  -1.4275463873
C   -1.9140105895  -0.8118551058  -0.1218581495
C   -1.2061223647   0.9547327535   1.3461242837
C   -3.1949082849  -0.2802443911  -0.1425561201
C    2.7968639952  -2.0784122121   1.0845820945
C    4.4322988866   3.4779999998  -0.9286553591
C    3.8420845292  -0.4597640141   0.0179600029
C   -1.5947849396  -2.0393161313  -0.9187349007
C   -2.4838017301   1.4852524073   1.3333268470
C   -3.4707013826   0.8618794461   0.5893527772
C    4.1294895037  -2.3087601850   1.0304470036
H    0.4164666350   1.3099342603  -0.8849017283
H    1.9997753257   0.8660167420  -1.4996431031
H    2.1319003467   4.0252933237   0.4816607944
H    0.9561721389   3.5272605040  -0.7326607494
H    2.8454151764   2.8564092755  -2.2564958278
H    2.8088672054   4.5472652994  -1.8417700507
H   -0.4359347797   1.4323249566   1.9367125440
H   -3.9796545838  -0.7442138342  -0.7230964783
H    1.9854578795  -2.6399820579   1.5110706332
H    4.6786311930   2.4984662606  -0.5178394641
H    5.1387384495   3.6748910651  -1.7352031772
H    4.6149580123   4.2135982756  -0.1432701536
H    4.0019347078   0.4501633640  -0.5340467947
H   -2.7001692273   2.3787289156   1.9022547395
H    4.6672301375  -3.1513049442   1.4336789622
*