! 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   6.8315684077  -0.1852681987   0.0490432579
O   -1.6545794371   0.0255912508  -1.6941376565
N   -3.3469435455   1.4833078702   0.0886405983
N   -4.1330510374   1.2805937250   1.1517296521
N   -5.3755706691   1.5482813105  -0.6950436897
C   -1.3789587291   0.0337742288  -0.3091258600
C   -2.0378784973  -1.1278432490   0.5198399241
C    0.1360472689  -0.1051852412  -0.0301831495
C   -0.8726967196  -1.8544422891   1.2054692446
C    0.2035353835  -0.7828296826   1.3312390713
C   -3.0417969649  -2.0111543418  -0.2366054953
C   -1.9051561631   1.3893512416   0.1737199548
C    0.9694036208   1.1655297302  -0.1967205729
C   -2.4038742072  -3.0982811884  -1.1007042855
C   -4.0194355221  -2.6523296155   0.7447521314
C    2.4405323925   0.8683035741  -0.1381306234
C   -4.1018704159   1.6319312821  -0.9996984297
C    3.1602965780   1.0135790006   1.0439974189
C    3.1109852487   0.3921930115  -1.2624936140
C    4.5087204331   0.6930859874   1.1122295073
C    4.4578480132   0.0666229924  -1.2160594902
C   -5.3319824689   1.3261913181   0.6307448985
C    5.1461693889   0.2193740096  -0.0226347719
H   -2.6074455041  -0.6518949184   1.3226526987
H    0.5062421072  -0.8367567994  -0.7626475141
H   -0.4879157811  -2.6682711130   0.5861919331
H   -1.1623761471  -2.2894240359   2.1623324420
H   -0.0423679939  -0.0736808379   2.1285966688
H    1.1899752903  -1.1908190388   1.5531923245
H   -3.6269870353  -1.3592022805  -0.8932242061
H   -1.4820127185   2.2011913726  -0.4186260310
H   -1.6338567617   1.5621320664   1.2133663728
H    0.7153394743   1.8914383834   0.5790797206
H    0.7324763693   1.6286790056  -1.1584925007
H   -1.3439453248  -0.8019544610  -2.0752508806
H   -3.1487183043  -3.5422351629  -1.7626609761
H   -1.5883782982  -2.7432425002  -1.7346731254
H   -1.9952546972  -3.9057784599  -0.4905324020
H   -3.4993043362  -3.2672166898   1.4827978345
H   -4.7327175879  -3.2970928268   0.2279568330
H   -4.5911751546  -1.8951076158   1.2843550431
H   -3.6945102580   1.8191579491  -1.9791832440
H    2.6650734243   1.3847812923   1.9329168835
H    2.5764299875   0.2737875955  -2.1975468369
H    5.0508217049   0.8139974681   2.0401777512
H    4.9610199109  -0.2991033589  -2.1007969604
H   -6.2144635707   1.2053954432   1.2391872245
*