! 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   0.9719529058   1.7257407918   2.0645003619
Cl  -6.9401384672  -0.3666035186   0.9850529398
O    4.0614978446  -0.1418979450  -0.6391714859
O    3.7088895389   1.2776657992   1.0465114438
O   -2.0118510734   0.8916241853  -1.9255413919
N    2.2551161812  -2.0508831413   0.7713112041
N    0.9447004377  -2.1722850918   1.0061440671
N    1.5848954518  -3.5848135420  -0.6159192013
C    3.1454994817   0.1993337719   0.3669265417
C    4.9438974982   0.9633611865  -0.8712677341
C    3.0227146187  -0.9754369367   1.3484066372
C    4.3794658624   2.0369785479   0.0559075160
C    1.7863151754   0.5179188348  -0.2517398971
C    6.3663252229   0.5631431606  -0.5497433676
C    0.7519114088   1.1333307551   0.4504448279
C    1.4911754227   0.0541946850  -1.5299921094
C   -0.5147111694   1.2841131404  -0.0876105270
C    0.2259034289   0.1608835590  -2.0807922183
C   -0.7759189758   0.7722390269  -1.3494364907
C    2.6146290109  -2.8858357480  -0.2055544628
C    0.5938316151  -3.1003416123   0.1566472407
C   -3.1287557620   0.5810117272  -1.1949413475
C   -3.1402163188  -0.4216668629  -0.2331888066
C   -4.2875024742   1.2827974435  -1.4938478654
C   -4.3170299377  -0.7100450777   0.4404749702
C   -5.4659874519   0.9859204832  -0.8288529738
C   -5.4714078799  -0.0045942314   0.1402647770
H    4.8641853701   1.2660916452  -1.9178844187
H    2.5219766017  -0.6655574349   2.2622954991
H    4.0170013305  -1.3358014852   1.6110607789
H    5.1458751401   2.6429687767   0.5372725172
H    3.6850345340   2.7029138217  -0.4670308463
H    6.6756520828  -0.3019897864  -1.1366720177
H    7.0454141982   1.3822362993  -0.7880159460
H    6.4848474689   0.3223036596   0.5081450937
H    2.2602052533  -0.4346710341  -2.1103579035
H   -1.2884646707   1.7832486656   0.4810244467
H    0.0232399943  -0.2315149365  -3.0682038200
H    3.6267511688  -2.9670786114  -0.5678097787
H   -0.4223264524  -3.4576257120   0.0996463357
H   -2.2478946772  -0.9879055656   0.0028631993
H   -4.2735971518   2.0588627422  -2.2476291281
H   -4.3243393951  -1.4884347696   1.1908364622
H   -6.3668423327   1.5351927732  -1.0646947139
*
