! 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   2.1555465557  -0.7181042574  -1.8691164703
Cl   0.4749889255  -5.3768973833   0.0902968469
O   -0.8349257802   1.0779012353   0.9926246397
O    0.0900427970   1.2234671290  -1.0315555499
N    1.5474976139   2.6644783703   0.8758427330
N    2.1845680385   3.3516133781  -0.0762355515
N    1.0755630179   4.7444844199   1.2907166740
C    0.2683506533   0.6673220161   0.2325757568
C   -1.8972393465   1.4701069334   0.1182976800
C   -1.3052178159   1.2117515410  -1.2662170758
C   -3.1693310670   0.6975162456   0.4027128768
C    1.5321619199   1.2261070801   0.8880530944
C    0.3419999638  -0.8591526680   0.1768820262
C   -4.3283571202   1.1594584239  -0.4736807999
C    1.1446101588  -1.5463258623  -0.7331602249
C   -0.3951341825  -1.6230098635   1.0764182892
C   -5.6038544823   0.3801474560  -0.1931565766
C    1.1889653907  -2.9321735155  -0.7692271709
C   -0.3655750625  -3.0073440743   1.0676435906
C    0.8849986852   3.5052325506   1.6717742191
C    0.4258453124  -3.6508424880   0.1336560414
C    1.8752754540   4.5860820742   0.2192268899
H   -2.0721614337   2.5410405903   0.2694179748
H   -1.6306078822   0.2443550880  -1.6697043808
H   -1.5430576071   1.9868015443  -1.9921839286
H   -3.4409089345   0.8213183623   1.4547681136
H   -2.9914933711  -0.3711121167   0.2440710918
H    2.4293134755   0.8774175288   0.3834190925
H    1.5803557520   0.8742857153   1.9178898538
H   -4.0660450550   1.0511671462  -1.5305229075
H   -4.5054853658   2.2265009586  -0.3111569723
H   -1.0166239699  -1.1292477128   1.8091183388
H   -5.4678515733  -0.6848042846  -0.3906242004
H   -5.9114114224   0.4846206616   0.8489979571
H   -6.4283502422   0.7274823347  -0.8164774654
H    1.8113830719  -3.4379757196  -1.4940769803
H   -0.9557301748  -3.5671683795   1.7793040752
H    0.3033164068   3.1813684449   2.5199599715
H    2.2483241392   5.4135521438  -0.3641428006
*