! 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   4.0480900895   3.3509194317   1.3031779419
O   -0.8168265438  -0.1721790890   1.0147097649
N   -1.2917988307  -2.8029454045  -0.2166521956
N   -0.2274276065  -2.9684161031   0.5769961495
N   -0.0569048405  -4.2774790275  -1.2320310980
C   -1.7712571178  -0.3710783370  -0.0059830747
C   -2.9316586524   0.6375767546   0.2874795667
C   -1.1742914289  -0.1283284390  -1.4177933360
C   -2.3068278031  -1.8168966606   0.0842327392
C   -2.3829483826   2.0687431993   0.3582596291
C   -4.0030053506   0.5836810025  -0.8054572171
C   -3.6017899701   0.3403809648   1.6347684518
C    0.3235922391  -0.3852266052  -1.6154851117
C    1.2442072276   0.5494534123  -0.8772769617
C   -1.1693588319  -3.5798905000  -1.2901792228
C    1.1550683262   1.9290843368  -1.0465609173
C    2.2330911035   0.0585914814  -0.0303963418
C    0.4823150354  -3.8573364917  -0.0754097695
C    2.0094598958   2.7954586013  -0.3831819157
C    3.1006350033   0.9073000292   0.6424791994
C    2.9768081412   2.2744853405   0.4624099635
H   -1.3671102635   0.8986612696  -1.7288553918
H   -1.7151803803  -0.7398490538  -2.1453839083
H   -2.6839582342  -2.0313810006   1.0825347759
H   -3.1192457515  -1.9821030303  -0.6199049472
H   -1.6195287415   2.1815164560   1.1269556276
H   -3.1955339730   2.7567490618   0.6002032952
H   -1.9545676484   2.4093875367  -0.5850076023
H   -4.7895197210   1.3079925796  -0.5855581234
H   -4.4871082703  -0.3919263330  -0.8740246606
H   -3.6104033788   0.8302376948  -1.7926045524
H   -4.3521094104   1.1049115816   1.8442448885
H   -4.1239281036  -0.6172246574   1.6519583332
H   -2.8881223259   0.3507905200   2.4583640504
H    0.5141741099  -0.2744385382  -2.6867575160
H    0.6031208957  -1.4138486101  -1.3861682617
H   -0.2198663160  -0.9316945540   1.0484730846
H   -1.9102820395  -3.6188719109  -2.0728125750
H    0.4064127873   2.3473390088  -1.7082752939
H    2.3312450102  -1.0108972010   0.1173991462
H    1.4223715718  -4.2215822295   0.3077070764
H    1.9209386129   3.8637686844  -0.5273906506
H    3.8578959134   0.5029258060   1.3003553479
*