! 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   5.1686355526  -2.1708458762   0.1951969723
O    0.3223578696   1.0654903118  -0.4152261174
O   -1.1409505476  -0.9086267045  -1.3752275403
N   -1.7395454882   1.9038565847   0.0407931432
N   -1.9395821372   2.8285738698   0.9873934002
N   -3.1410042339   3.2992668571  -0.8499791749
C   -2.6731316757  -1.1449945699   0.4517984684
C   -1.5544087248  -0.4769693999  -0.3293239556
C   -0.8723953742   0.7832118046   0.2526060957
C   -1.9867670642  -2.2428882914   1.2844222948
C   -3.4248312188  -0.2057658792   1.3957852329
C   -3.6599090050  -1.7773489082  -0.5285202567
C    1.4040196387   0.2611606065  -0.2227327555
C   -2.4638035948   2.2009343442  -1.0472440562
C    1.4877796224  -0.7255563415   0.7506482588
C    2.4858384163   0.4965196324  -1.0661448208
C   -2.7838421007   3.6362515123   0.4076241000
C    2.6502808892  -1.4748849672   0.8772726377
C    3.6433988422  -0.2478904968  -0.9378488262
C    3.7198561752  -1.2342918548   0.0354558775
H   -0.7317017742   0.6927941755   1.3336769831
H   -2.7485217095  -2.8110968066   1.8193485887
H   -1.4262795198  -2.9388031772   0.6597752806
H   -1.3106330777  -1.8322296823   2.0362408011
H   -4.1550777190  -0.7909340391   1.9558286500
H   -3.9792574513   0.5687453014   0.8640510558
H   -2.7799810410   0.2720069735   2.1339920832
H   -4.4554141553  -2.2748398843   0.0266171629
H   -3.1892394462  -2.5210348948  -1.1693445838
H   -4.1253979559  -1.0229955072  -1.1655898554
H   -2.4593069185   1.6101275829  -1.9501770597
H    0.6793713561  -0.9366003250   1.4370416033
H    2.4209681684   1.2652408859  -1.8250594221
H   -3.1629750971   4.5112294270   0.9104785982
H    2.7046919680  -2.2406160531   1.6385326483
H    4.4779395031  -0.0571356314  -1.5982845677
*