! 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   5.8882349289   0.0145364789  -0.2910086891
O   -2.7072302576   0.0642253481   1.6891646525
N   -2.1328681487  -1.7508494067  -0.5064959055
N   -1.1650852279  -1.9556439106  -1.4039918312
N   -1.0881725652  -3.5235008176   0.1980101520
C   -3.1658502475   1.8909244728   0.0566621116
C   -2.4611656981   0.5448638998   0.3912599614
C   -2.3829471013   2.3471031414  -1.1807114977
C   -0.9997282045   0.8437400143   0.1043421582
C   -0.9249235871   1.9617707280  -0.8986259343
C   -2.9624419206  -0.5716291895  -0.5473063568
C   -2.9414413991   2.8788404725   1.2041956488
C   -4.6615527719   1.7703277435  -0.2013667924
C   -0.0162375202   0.1482689627   0.6818578311
C    1.4229829937   0.1990761004   0.4385544099
C   -2.0662710282  -2.6839344143   0.4433561656
C    2.1890577337  -0.8863937875   0.8799642211
C    2.0927168223   1.2359600653  -0.2191093213
C   -0.5712492848  -3.0239059563  -0.9402621386
C    3.5541029367  -0.9548758299   0.6628379603
C    3.4595097031   1.1850573380  -0.4393461318
C    4.1819016864   0.0861766215  -0.0028937026
H   -2.5000009189   3.4158792793  -1.3639006156
H   -2.7487784978   1.8371597559  -2.0752074884
H   -0.3849167173   2.8143471633  -0.4801592146
H   -0.3859688594   1.6702767690  -1.8036138326
H   -2.9920945235  -0.2420009363  -1.5826049646
H   -3.9762971107  -0.8574607875  -0.2658805909
H   -3.3095477949   3.8657024145   0.9192684445
H   -3.4812311640   2.5847087070   2.1058792430
H   -1.8883567492   2.9940495043   1.4716236951
H   -4.8934330238   1.1576634884  -1.0736938970
H   -5.1835884797   1.3445080344   0.6579431649
H   -5.0907213175   2.7572372445  -0.3840649105
H   -2.2228239084   0.6104049692   2.3187740972
H   -0.3064089145  -0.6232252900   1.3899994868
H   -2.7526695354  -2.7309963868   1.2726792606
H    1.7026355260  -1.7049294329   1.3964963746
H    1.5624251195   2.1108988648  -0.5617857092
H    0.2669047519  -3.4697094343  -1.4525168539
H    4.1175759960  -1.8105580028   1.0089124489
H    3.9526932123   2.0014766436  -0.9489397239
*