! 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  -6.1522469132   0.8776535791   1.2167177368
O    2.7076588597   1.5027029458   0.4961394165
O    0.1181536645  -1.7253124390   0.4689607701
N    2.0644802191  -0.6223202622   0.0788174594
N    1.7674847543  -2.8422271427  -0.6156271289
N    2.3516418900  -4.9517924842  -0.8442192603
C    1.5659783119   0.6849827547   0.6044158538
C    3.5321270197  -0.5607597193  -0.1574940690
C    3.8354781077   0.6808216303   0.6794616917
C    0.4751806252   1.2614501405  -0.2963708953
C    1.1365562011   0.5903969686   2.0663988159
C    4.3210283990  -1.7465593935   0.3779323075
C    3.8751779407  -0.2863286183  -1.6187493296
C    0.1849143679   2.7399281483  -0.0610728851
C    1.2498630693  -1.6769548140   0.0270085053
C   -1.0170726158   3.2261767565  -0.8786228784
C   -2.3174431841   2.6531684193  -0.3909024639
C    2.0226266191  -3.0274595211  -1.9520413495
C    1.9666295319  -4.0359829222  -0.0015578774
C   -2.9294899747   1.5774286232  -1.0275092370
C   -2.9236519424   3.1695386707   0.7530736215
C    2.3813493448  -4.3344991960  -2.0670133781
C   -4.1069715674   1.0242291692  -0.5421401483
C   -4.0996102602   2.6336733378   1.2534301853
C   -4.6813532376   1.5587898568   0.5985558337
H    3.9832451173   0.4200967991   1.7349125252
H    4.7224128883   1.2091667165   0.3321887767
H   -0.4350454385   0.6793109764  -0.1469662925
H    0.7716941775   1.1222563914  -1.3402401809
H    1.8971406595   0.1100583410   2.6825258341
H    0.2097006146   0.0368005298   2.1847457559
H    0.9776395785   1.5930074557   2.4628463696
H    4.3079705285  -2.6064986175  -0.2892873721
H    3.9772925642  -2.0572937969   1.3648731718
H    5.3651940609  -1.4447544544   0.4766686812
H    3.3219973326   0.5664157345  -2.0124126084
H    4.9396154935  -0.0646978007  -1.7041281326
H    3.6777872609  -1.1454378348  -2.2553894331
H   -0.0074395049   2.9389966715   0.9966192507
H    1.0542163229   3.3383260252  -0.3376114720
H   -0.8687069147   2.9752961155  -1.9318463459
H   -1.0583244911   4.3159026702  -0.8203801633
H    1.8767660168  -2.2531465284  -2.6850116107
H    1.8324221697  -4.1633764033   1.0612325653
H   -2.4855714772   1.1571462608  -1.9218311877
H   -2.4734947800   4.0108250412   1.2666600801
H    2.6481709682  -4.8638144792  -2.9674653884
H   -4.5651122278   0.1873783800  -1.0514899531
H   -4.5551324361   3.0519305123   2.1407588593
*