! 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  -5.2906553752  -2.0118163502   0.9369072863
O    1.7989940463  -1.0654658499  -1.3944260255
O   -0.3549878526   0.6354938506  -0.7848177451
N    1.5894767965   1.7737960187  -0.5355856952
N    2.2055740574   1.7102339194  -1.7232043743
N    2.6234308491   3.6724621113  -0.7265133764
C    2.8106237054  -0.7953580687   0.8469201661
C    1.5643238499  -0.6711093643  -0.0651465135
C    0.8236436697   0.6786243391  -0.0097902601
C    4.0211457987   0.0061179005   0.3644399141
C    2.4543591858  -0.3683497558   2.2724611315
C    3.1961079624  -2.2783479184   0.8699866981
C    1.8510546851   2.9489603960   0.0435609125
C   -1.4562537870  -0.0018121308  -0.3104696729
C    2.8109671075   2.8664726231  -1.7905041827
C   -1.6040463561  -0.4749993520   0.9888251374
C   -2.5006288528  -0.1509171309  -1.2205274814
C   -2.7881317276  -1.0929330140   1.3697667042
C   -3.6795800947  -0.7631372084  -0.8392897113
C   -3.8175942465  -1.2353943679   0.4583484292
H    0.8464009977  -1.3994076806   0.3305484044
H    0.5968286413   0.9472537934   1.0236887386
H    3.8861600625   1.0850455084   0.4430057640
H    4.8860805326  -0.2405630652   0.9833418867
H    4.2946708536  -0.2311904721  -0.6646166734
H    3.2630463287  -0.6332967756   2.9555300934
H    1.5519371554  -0.8674668995   2.6357060455
H    2.3062235823   0.7092102175   2.3696188730
H    3.4973423596  -2.6378368027  -0.1142073870
H    2.3688923151  -2.9025874714   1.2158078109
H    4.0343876879  -2.4406190755   1.5497285796
H    2.2784177082  -0.3584782521  -1.8487792073
H    1.4585513048   3.2303474634   1.0080618995
H    3.4111431156   3.1424593751  -2.6427613423
H   -0.8264546342  -0.3786442274   1.7340837073
H   -2.3874622443   0.2175072116  -2.2317929354
H   -2.8910122137  -1.4588944665   2.3819825093
H   -4.4827233057  -0.8719330727  -1.5550147578
*