! 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   0.5367268780  -0.2578975279   2.0330290353
Cl  -7.4729659359  -1.0614265521   0.9934158289
O    3.2031567891  -0.0902676865   0.8182754351
O    3.4845682655   0.6202824429  -1.2657578987
O   -2.3996086958  -1.4799680430  -1.9053147690
N    3.6890500490   2.6978809908   0.6334469406
N    4.4204739757   3.3965985901  -0.2385279971
N    5.5262315933   3.1562071186   1.6993479948
C    2.5939342540   0.6553986262  -0.1907456722
C    4.0029946978  -1.1046706656   0.2138971677
C    2.4305247662   2.1028092863   0.2704679792
C    4.0723511611  -0.6694782168  -1.2572186104
C    1.2334284036   0.0842164079  -0.5910249538
C    3.4147209961  -2.4836734918   0.4099221272
C    0.2746276843  -0.3486007578   0.3222875578
C    0.8945894890   0.0066063384  -1.9398639842
C   -0.9469918724  -0.8671531074  -0.0798357988
C   -0.3203900147  -0.4931474270  -2.3707090832
C   -1.2392520425  -0.9379487680  -1.4337914940
C    4.3639719088   2.5561362999   1.7741707271
C    5.5019822423   3.6513941779   0.4477649612
C   -3.5604210639  -1.3542917170  -1.1827325746
C   -3.9617330606  -0.1352960225  -0.6528189857
C   -4.3580612258  -2.4795970062  -1.0527892047
C   -5.1680757153  -0.0473403305   0.0223962532
C   -5.5716878215  -2.3892956894  -0.3883475267
C   -5.9642948162  -1.1750213653   0.1503958203
H    4.9888719890  -1.0570885206   0.6818203193
H    1.7600059916   2.1476104192   1.1273312513
H    1.9842626926   2.6989623786  -0.5230119329
H    5.0925893337  -0.5889093652  -1.6291390394
H    3.5221622447  -1.3589721945  -1.9071821537
H    3.3359353333  -2.7336515815   1.4675662065
H    4.0607166286  -3.2281145722  -0.0579869042
H    2.4248479895  -2.5696428227  -0.0398738175
H    1.5984158255   0.3509130404  -2.6845195673
H   -1.6517871202  -1.2145538051   0.6637207336
H   -0.5496458196  -0.5404382894  -3.4268056936
H    3.9714577531   2.0320458053   2.6302796644
H    6.3131886658   4.2243164578   0.0267871794
H   -3.3499367645   0.7505908253  -0.7628531060
H   -4.0398161560  -3.4249748352  -1.4714830348
H   -5.4817087131   0.9009344507   0.4361099846
H   -6.1955748645  -3.2663884530  -0.2880883848
*