! 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  -6.4517068334   3.7459346266   1.1846334995
O    2.1303734777   1.0043074835   0.7947681433
O    4.4171686967  -2.4898415832  -0.6700344948
N    2.9334878287  -0.8275646057  -0.2390959454
N    2.2676905670  -3.0800533417  -0.2381323236
N    0.6292755024  -4.4434292719  -0.7890852261
C    1.7065786908  -0.2891025148   0.4317030046
C    3.9101384870   0.2628254733  -0.4810072422
C    3.0079189141   1.4629039960  -0.2074270663
C    0.5265565279  -0.2070326354  -0.5443670428
C    1.3499989365  -1.0097862726   1.7211001117
C    5.0549085293   0.2340113046   0.5301126556
C    4.4254426546   0.2924722822  -1.9112013039
C   -0.6584575268   0.5879074461  -0.0102593379
C    3.3001355097  -2.1018319593  -0.3922914818
C   -1.7923311775   0.6466744821  -1.0351022728
C   -2.9721129085   1.4145303471  -0.5135888193
C    2.2409246538  -4.0593899514   0.7243244858
C    1.2888574593  -3.3743342926  -1.1332886971
C   -4.0041207555   0.7689043071   0.1622997289
C   -3.0389116624   2.7992256149  -0.6474102005
C    1.2092765567  -4.8730137733   0.3762523322
C   -5.0762843194   1.4750769003   0.6878573681
C   -4.1015678562   3.5243107950  -0.1291270458
C   -5.1143983095   2.8517482097   0.5361667806
H    3.5605480201   2.3216468338   0.1719375895
H    2.4671687289   1.7765959929  -1.1086188745
H    0.1865193269  -1.2156711675  -0.7795990854
H    0.8595706079   0.2281775868  -1.4912318106
H    0.8015377762  -1.9324976150   1.5485523279
H    0.7087502094  -0.3671768640   2.3235800104
H    2.2403190159  -1.2318561886   2.3096458779
H    5.6808484214  -0.6472551418   0.4150801736
H    4.6825690987   0.2603505611   1.5550053755
H    5.6874904650   1.1102113198   0.3830706005
H    3.6103408909   0.2030438820  -2.6299614979
H    4.9203846537   1.2481608724  -2.0911280137
H    5.1509654340  -0.4932016885  -2.1089934216
H   -1.0391533715   0.1349503136   0.9090394269
H   -0.3526961270   1.6051169042   0.2444103726
H   -2.0991272077  -0.3692593369  -1.2961359086
H   -1.4250657112   1.1100356212  -1.9543057735
H    2.9215595707  -4.0687910466   1.5589038842
H    1.1378085856  -2.7997638892  -2.0333901409
H   -3.9776395151  -0.3075899084   0.2810142714
H   -2.2499770615   3.3273246355  -1.1694799497
H    0.8515877072  -5.7432221733   0.9023780105
H   -5.8706358305   0.9548478972   1.2056114006
H   -4.1375029104   4.5988861441  -0.2465773836
*