! 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  -3.0692854603   3.4009566876   0.1193766519
N   -0.7050129603  -2.4598883470  -0.5586059717
N   -1.8144290915  -1.9469580524  -1.0990127548
N   -2.3271466083  -3.2564870914   0.6493790709
N    1.7743864068  -1.8692555455   2.2026318757
C    1.1700412519  -0.8778262165  -0.1411160404
C    2.4976463584  -0.4098155923  -0.7765848624
C    0.6034576027  -2.0431947718  -0.9912592799
C    3.1809078713   0.7253512398  -0.0294708528
C    0.1337665579   0.2294412824  -0.0290095372
C    4.4782300570   1.1554747734  -0.7021067276
C    1.4903972624  -1.4145785960   1.1834064045
C   -0.1298545927   1.0266917898  -1.1394054297
C   -0.6164740400   0.4255464001   1.1225877373
C    5.1738391632   2.2777099370   0.0521313398
C   -1.1096377579   2.0029460540  -1.1015521290
C   -1.6037686376   1.3990099798   1.1772628778
C   -1.0278986281  -3.2268490195   0.4860826541
C   -1.8419594100   2.1810799473   0.0622430137
C   -2.7525086074  -2.4544239607  -0.3452807697
H    2.2923845889  -0.1116506604  -1.8069799953
H    3.1667087538  -1.2719678531  -0.8393548377
H    1.2805770645  -2.8957608845  -0.9603446526
H    0.5254291500  -1.7204481867  -2.0273121866
H    3.3951419380   0.4197658687   0.9996223490
H    2.5095409131   1.5858816266   0.0383124582
H    4.2664596238   1.4769722392  -1.7258861510
H    5.1496040541   0.2959380088  -0.7839257551
H    0.4231809823   0.8962421574  -2.0605749980
H   -0.4493158101  -0.1753297104   2.0071916619
H    4.5353756312   3.1598324679   0.1278985955
H    6.0958331724   2.5814141399  -0.4446787076
H    5.4327096764   1.9718644100   1.0674248925
H   -1.2976295799   2.6143344058  -1.9732264279
H   -2.1745166762   1.5371058895   2.0849696741
H   -0.2989812998  -3.7600903247   1.0755300681
H   -3.7948448615  -2.2452312729  -0.5270971082
*