! 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  -1.4279702883   0.8004057802  -2.9674718517
Cl  -5.0333881198   2.5260257887   0.5814096407
F    3.9469770903   1.3524952084   0.5070329496
F    3.6737014043  -0.2144833833   1.9657713916
F    4.9412756534  -0.4937497626  -1.2927559781
F    4.7008975990  -2.0580626580   0.2132896929
O    2.5731901696  -0.3387599468   0.0245476524
N   -0.8749525730  -2.1125438120   0.1386610291
N   -0.5087493761  -2.3646752465   1.3982725515
N   -2.7221987830  -2.6492879363   1.1541534443
C    0.3009665589  -0.0436447041  -0.5699593639
C    0.0316981599  -1.5392816696  -0.8263231465
C    1.3363046941   0.1993585768   0.5190756812
C   -0.9972038016   0.6678917129  -0.2856739809
C   -1.8647401246   1.0501040298  -1.3077912299
C   -1.4327279182   0.8894789358   1.0191267991
C    3.7055201264   0.0213881594   0.6299074622
C   -3.1011241183   1.6251937584  -1.0590145500
C   -2.6619498893   1.4594049749   1.3026510048
C   -2.1934431872  -2.2664649802   0.0175977708
C   -3.4889200936   1.8218324622   0.2546711435
C    4.8940495804  -0.7320980438   0.0368054481
C   -1.6456610710  -2.6856991353   1.9605699700
H    0.7274652492   0.3531479452  -1.4943701311
H   -0.4224117497  -1.6706226305  -1.8074379203
H    0.9578740717  -2.1118174083  -0.8290650017
H    1.4253261635   1.2722940986   0.7020734364
H    1.0808078564  -0.2967460975   1.4559030990
H   -0.8095599888   0.6053576143   1.8556098837
H   -3.7477087321   1.9100776581  -1.8769834380
H   -2.9641006594   1.6102195732   2.3292272015
H   -2.7191569934  -2.1124113530  -0.9122217653
H    5.8374903610  -0.4351209138   0.4962245117
H   -1.6979597642  -2.9667813071   3.0006463739
*
