! 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   0.5599304568  -1.2124346341   2.5005501241
Cl   4.4022537577  -1.3527448937  -1.1855034423
O   -2.0659206693   0.1478522750  -0.9084852949
O   -1.9875812720  -1.0555618636   0.9604010693
N   -0.4538436712   2.2249200342   0.6328233262
N   -0.6653655293   2.9011035810  -0.4988605929
N    1.4003658732   3.3042309512   0.2839055404
C   -1.3258707595  -0.0468128648   0.2601978778
C   -2.7441464515  -1.0686266336  -1.2356776515
C   -2.4506370246  -1.9622329098  -0.0247610242
C   -1.3718632204   1.2282179316   1.1133512208
C    0.1157420547  -0.4311078770  -0.0840207204
C   -4.2146592139  -0.7889041280  -1.4906613447
C   -4.9578345779  -0.1422802698  -0.3320833425
C    1.0147747407  -0.9415106700   0.8507026910
C    0.5993096552  -0.2030996167  -1.3689547514
C    2.3302667585  -1.2317395408   0.5224888858
C    1.9075188046  -0.4817320398  -1.7258343004
C    0.7833602672   2.4619753217   1.0729888228
C    2.7634867122  -0.9983530854  -0.7705704000
C    0.4679879756   3.5323045625  -0.6598464721
H   -2.3015896742  -1.4991809320  -2.1389577495
H   -3.3286555505  -2.4798015299   0.3606100100
H   -1.6870279291  -2.7111467690  -0.2571155409
H   -1.1016491855   0.9990753882   2.1418443613
H   -2.3839595786   1.6308834171   1.1183103665
H   -4.6819436392  -1.7423006528  -1.7508843322
H   -4.3027426908  -0.1609207913  -2.3809925575
H   -4.5536470943   0.8405643701  -0.0888806196
H   -6.0079535593  -0.0042026622  -0.5899466232
H   -4.9295337896  -0.7496058331   0.5739027242
H   -0.0603388127   0.2061005162  -2.1200139315
H    3.0044159164  -1.6279527183   1.2689375080
H    2.2468253530  -0.2941598384  -2.7346814879
H    1.1788771331   2.0228912937   1.9757508881
H    0.6276627077   4.1977378563  -1.4935072022
*