! 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   5.1241278126   0.4027165158   0.9374131740
O   -1.3943356218  -0.4054475385   1.2969482319
N    0.0371601013  -1.8933626272  -0.8121400766
N    0.8238380186  -1.9065928075   0.2705488031
N    2.0521071166  -2.1652920660  -1.5826743927
C   -1.8599421342  -0.4509507649  -0.0311708537
C   -3.4171049518  -0.5028304076  -0.0541960672
C   -1.4408914310   0.7818907891  -0.9041489368
C   -3.7853012645   0.2632710499  -1.3288397562
C   -2.7486816566   1.3720448939  -1.4500472598
C   -4.1348522531  -0.0337442911   1.2241003479
C   -1.3976818369  -1.7618159822  -0.6945178575
C   -0.6091932896   1.8576214098  -0.1996648255
C   -4.0283517971   1.4525636473   1.5438588797
C   -5.6060182477  -0.4401895689   1.1673549746
C    0.8174186809   1.4906009165   0.0985156503
C    0.7850149190  -2.0381246592  -1.9039870470
C    1.7170799341   1.2652456100  -0.9410225056
C    1.2889885828   1.3919578954   1.4045531053
C    3.0411322155   0.9431718822  -0.6939569865
C    2.6114091339   1.0694706427   1.6742053937
C    2.0183950372  -2.0630419508  -0.2430571890
C    3.4760619786   0.8438007732   0.6175797904
H   -3.7168287551  -1.5509328779  -0.1686208833
H   -0.8535764431   0.4211270976  -1.7555898200
H   -4.8082694168   0.6441475518  -1.3174747602
H   -3.7182940107  -0.4049388941  -2.1915075131
H   -2.6331586687   1.7282699136  -2.4748951422
H   -3.0456656612   2.2365278626  -0.8523757648
H   -3.6884914159  -0.5831868489   2.0570223581
H   -1.8076443711  -1.8447140357  -1.7006603960
H   -1.7690961296  -2.6122609134  -0.1202559407
H   -1.1071471384   2.1757805099   0.7171907955
H   -0.6045156576   2.7332847965  -0.8561177127
H   -0.4610739839  -0.6638432232   1.3078472200
H   -2.9965566366   1.7934134366   1.6170104601
H   -4.5349272545   2.0689643219   0.7983585299
H   -4.5034959164   1.6633961496   2.5041407437
H   -6.1439088178   0.0793085288   0.3712867976
H   -6.1114336782  -0.2018360059   2.1050919352
H   -5.7213574811  -1.5124379409   0.9972535382
H    0.3690109972  -2.0626107355  -2.8988882236
H    1.3846622706   1.3421415837  -1.9694894566
H    0.6169337268   1.5729883874   2.2344662502
H    3.7208854292   0.7648610931  -1.5157231415
H    2.9558644620   0.9938635705   2.6967615735
H    2.8970308505  -2.1207551751   0.3792306041
*