! 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   0.6727856276  -0.1832504156   2.9338587852
Cl   3.6201167281   2.6957422443  -0.4404543208
O   -2.2177675539  -0.4740695873  -0.5150679194
O   -2.0025135570  -0.4003540633   1.7010216268
N   -0.0262035093  -2.4737272407  -0.5508960291
N    1.3025810135  -2.4711007844  -0.4076723967
N    0.7466708961  -2.6997910216  -2.5694487103
C   -1.3045736246  -0.6780577041   0.5263075933
C   -3.2170786778   0.4551777085  -0.0797247335
C   -2.8582268499   0.6838071349   1.3904200917
C   -0.9009129618  -2.1571545029   0.5486419477
C   -0.0804489385   0.2178947053   0.3349379555
C   -3.2289879473   1.7278957160  -0.9018823361
C   -3.5317209914   1.5022966075  -2.3737468479
C    0.8485726345   0.4713921455   1.3407972222
C    0.1905473673   0.7425363900  -0.9254416907
C    1.9815245844   1.2387942096   1.1153335473
C    1.3191755365   1.5000419854  -1.1843542455
C   -0.3386136173  -2.5945778649  -1.8427841016
C    2.2053424760   1.7464593695  -0.1516847390
C    1.7162492170  -2.6132195646  -1.6384917165
H   -4.1858330372  -0.0461445432  -0.1707218792
H   -2.3460770354   1.6423569961   1.5353310951
H   -3.7217433099   0.6509493586   2.0523628674
H   -1.7949983457  -2.7775721353   0.4922622149
H   -0.3787073741  -2.4006996347   1.4707229494
H   -3.9901421569   2.3820844039  -0.4667757372
H   -2.2754433490   2.2506067721  -0.7857877925
H   -3.5569301166   2.4495591544  -2.9122724707
H   -2.7780883831   0.8754910727  -2.8515630806
H   -4.5007400567   1.0199199696  -2.5121761367
H   -0.4953422554   0.5530744276  -1.7388613233
H    2.6804606934   1.4279248985   1.9179350106
H    1.4970817379   1.8884316047  -2.1771192033
H   -1.3544407735  -2.6213594373  -2.2025696059
H    2.7669792383  -2.6642846159  -1.8765326122
*