! 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   5.8991589903   1.7633719434  -0.4446022676
O   -2.3951979514  -1.2197046643  -1.4235486867
N   -2.5043083207   1.4710074295  -0.1038293783
N   -2.5719873663   1.6316216089  -1.4288814931
N   -2.1093173663   3.5836940108  -0.4350629480
C   -1.8669566611  -0.9261949260  -0.1438107607
C   -1.8594406068  -2.2146376127   0.6897728387
C   -0.3587388592  -0.6292539037  -0.2965998907
C   -0.7532310495  -3.0469774473   0.0272985447
C    0.2261140350  -2.0244847025  -0.5895606319
C   -3.1938378984  -2.9256001965   0.9670068274
C   -2.6938873067   0.1755368142   0.5201091904
C    0.3040598621   0.0168500926   0.9311622122
C   -3.8073605369  -3.6750511101  -0.2116084075
C   -3.0245122939  -3.8802235362   2.1476846752
C    1.7067544719   0.4589686860   0.6249929835
C   -2.2249233353   2.6386234260   0.4700838933
C    2.8141997886  -0.2115223080   1.1330422261
C    1.9260465135   1.5506635158  -0.2140378532
C    4.1068106413   0.1826730976   0.8130667966
C    3.2068568809   1.9598761518  -0.5467735944
C   -2.3255461685   2.9098777780  -1.5768274279
C    4.2906892569   1.2653217505  -0.0296146096
H   -1.4871868790  -1.9062648521   1.6743977714
H   -0.2073745303   0.0426207125  -1.1471217555
H   -1.1617434892  -3.6931121418  -0.7502493224
H   -0.2631406226  -3.7011383302   0.7488907492
H    1.2311528183  -2.1252178885  -0.1771166989
H    0.3229761507  -2.1834497930  -1.6632343805
H   -3.9138018607  -2.1606434970   1.2802264167
H   -2.4385993055   0.2886091188   1.5724430799
H   -3.7536396623  -0.0809755406   0.4740766058
H    0.3156494448  -0.6792450301   1.7729246767
H   -0.2615825618   0.8903764655   1.2619979042
H   -2.3908157979  -0.3960374387  -1.9323268375
H   -3.1685125140  -4.4937918939  -0.5484781488
H   -4.7593116028  -4.1185602347   0.0864552406
H   -3.9983827673  -3.0286329010  -1.0644171756
H   -2.3166280386  -4.6802725916   1.9187733869
H   -3.9733123441  -4.3516594580   2.4101843635
H   -2.6592228637  -3.3605940996   3.0356703817
H   -2.1282350076   2.7582457813   1.5375686872
H    2.6739528945  -1.0574824730   1.7947214884
H    1.0813158397   2.0980570432  -0.6184083150
H    4.9549506796  -0.3527818122   1.2175610354
H    3.3560025666   2.8085118073  -1.2003133034
H   -2.3057353388   3.3723023481  -2.5509025325
*