! 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   5.4223950703   3.0016868589  -0.9346516809
O   -2.2753197683   0.1465045186   2.0518860910
N   -0.9476373924  -2.7025036217   0.0960165218
N    0.3661548704  -2.7320634588  -0.1475993474
N   -0.7315219288  -3.9820476157  -1.6515201838
C   -1.8292916998  -0.4587638123   0.8528268545
C   -2.8252028570  -0.2295563456  -0.3118742622
C   -0.5867409209   0.3237316522   0.4019867570
C   -2.4432994053   1.1607967951  -0.8854224499
C   -1.1735264357   1.6127398537  -0.1576888199
C   -4.3274951318  -0.3186721559   0.0030637265
C   -1.5152065065  -1.9333718613   1.1802046773
C    0.4899692783   0.5184276907   1.4684161093
C   -5.1277227063  -0.1632688754  -1.2893854039
C   -4.7772941735  -1.6076396952   0.6890374044
C    1.7281537056   1.1435676871   0.8907717505
C   -1.5822575063  -3.4490694942  -0.8083276716
C    1.9979879208   2.4995190288   1.0475323302
C    2.6256308600   0.3754755662   0.1511346905
C    3.1285549726   3.0806957773   0.4897075556
C    3.7608628805   0.9357042419  -0.4133804644
C    0.4434857158  -3.5071029910  -1.1987136275
C    4.0023534108   2.2897309098  -0.2373479231
H   -2.6092225785  -0.9825485919  -1.0790534682
H   -0.1435980840  -0.2308586437  -0.4315515555
H   -3.2504123307   1.8827071479  -0.7490033020
H   -2.2705811547   1.0905802870  -1.9598389046
H   -0.4774292909   2.1353317432  -0.8142888434
H   -1.4157918222   2.2997719549   0.6571050630
H   -4.5861678813   0.5226194633   0.6573519151
H   -2.4108820295  -2.4578751896   1.5082416949
H   -0.8127346369  -1.9771706628   2.0120826614
H    0.7559805600  -0.4449364453   1.9107657529
H    0.1070766536   1.1436846391   2.2769314993
H   -3.1404889089  -0.2047310772   2.2868749843
H   -4.8938445164   0.7582572462  -1.8226650989
H   -4.9299336438  -0.9961897400  -1.9688142575
H   -6.1993817045  -0.1551587608  -1.0834855171
H   -4.5030496980  -2.4915547908   0.1085581921
H   -5.8640396025  -1.6177675680   0.7878551735
H   -4.3835553948  -1.7393225710   1.6981045666
H   -2.6513695688  -3.5921688765  -0.8079817885
H    1.3183790625   3.1207055681   1.6182168105
H    2.4363292637  -0.6827910970   0.0144985732
H    3.3220827823   4.1360923463   0.6254363051
H    4.4484875432   0.3221387933  -0.9795906421
H    1.3915092491  -3.7462875272  -1.6544576484
*