! 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  -5.2665161616  -0.7646865988  -0.2401334202
O    3.1527680283   1.3223633468   0.9507525230
O    2.5869901106  -2.4478249710  -1.3414490051
N    2.5136966387  -0.4224560031  -0.3264325728
N    0.6908100573  -1.9057555124  -0.2119956574
N   -0.9141901501  -3.0011059851   0.8229113885
C    2.0100084208   0.5339042282   0.7109260248
C    3.8365575131   0.0147741778  -0.8337255727
C    3.8604351734   1.4300630811  -0.2626833938
C    0.8690450588   1.3838627835   0.1509614874
C    1.6525611454  -0.1302390068   2.0313363670
C    4.9666453860  -0.8168303953  -0.2319555738
C    3.9159548618   0.0566443308  -2.3517306015
C    0.4100837526   2.5114124654   1.0651786389
C    2.0176516189  -1.6117627141  -0.6684845642
C   -0.8195874859   3.2275722800   0.4949513341
C   -1.9765270809   2.2873127789   0.2998868845
C   -0.4905870328  -1.4854190994  -0.7762351974
C    0.3744027432  -2.8332313431   0.7265936307
C   -2.3611977097   1.8666428846  -0.9695828405
C   -2.6456662588   1.7526656904   1.3989371614
C   -1.4632559666  -2.1702889784  -0.1176906810
C   -3.3765158069   0.9372308838  -1.1479308708
C   -3.6603878135   0.8218406200   1.2438217748
C   -4.0155739491   0.4213621810  -0.0344030986
H    4.8717204706   1.7784121253  -0.0544800842
H    3.3857147016   2.1454664663  -0.9458748015
H    0.0208908930   0.7265061931  -0.0331273224
H    1.1531035005   1.7949799026  -0.8227382981
H    1.6922168541   0.6119028200   2.8281960058
H    2.3599458123  -0.9202842423   2.2829938867
H    0.6457831089  -0.5413503772   2.0330082592
H    4.9393129983  -0.7954091160   0.8582277682
H    5.9270391229  -0.4089867856  -0.5496982455
H    4.9256009860  -1.8542918920  -0.5554146769
H    3.0383237524   0.5395700686  -2.7828358298
H    4.7900150554   0.6415573620  -2.6428900521
H    4.0226047742  -0.9304848999  -2.7932903760
H    0.1588288523   2.1229561423   2.0554694808
H    1.2087266725   3.2413356822   1.2101228274
H   -0.5615127583   3.6958701787  -0.4577843871
H   -1.1033262819   4.0342867633   1.1746130727
H   -0.5266373547  -0.7836240282  -1.5917407475
H    1.1268065696  -3.3335669149   1.3153216946
H   -1.8552847365   2.2620383536  -1.8420114280
H   -2.3696173591   2.0603480712   2.4005446761
H   -2.5278838957  -2.1131668018  -0.2740386964
H   -3.6560494251   0.6192227881  -2.1431120112
H   -4.1654861221   0.4157914717   2.1096113967
*