! 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   5.0477895354   0.7442298638  -0.4050010861
N   -3.4591681667   0.6696154352   0.3629906272
N   -4.3132086603   0.1335606639  -0.5142855639
N   -3.9664481626   2.3020034739  -0.9797720659
N   -2.3093125422  -2.6722529958  -0.9730608492
C   -1.5107735597  -0.8388665243   0.7119869402
C   -0.8164111700  -1.6118913120   1.8590055310
C   -2.7544337255  -0.1391898681   1.3194094468
C   -0.6450891980   0.2115704940   0.0280051644
C    0.3551622369  -2.5166653619   1.4687586459
C    1.5739992455  -1.7761046848   0.9962529033
C   -1.9629656178  -1.8405023797  -0.2561704685
C    0.1312126807   1.0677796976   0.8038747925
C   -0.6743171136   0.3983668513  -1.3486542628
C    2.4143137216  -1.1486485884   1.9111638383
C    1.8581049031  -1.6430144177  -0.3583091531
C    0.8969299661   2.0575574256   0.2110580021
C    0.0853005274   1.3968361866  -1.9429271774
C   -3.2523922625   1.9531856060   0.0609058152
C    0.8818860110   2.2229714992  -1.1671703715
C    3.4900717798  -0.3813305761   1.4927481696
C    2.9234513857  -0.8739101117  -0.7989071499
C   -4.5891912852   1.1489159569  -1.2891883589
C    3.7259019441  -0.2409849568   0.1350182852
H   -1.5765428500  -2.2307274694   2.3409283699
H   -0.4946276339  -0.8920043127   2.6137051611
H   -3.4431525598  -0.8699871450   1.7396646380
H   -2.4193902743   0.5059573722   2.1303875509
H    0.0359731753  -3.2384364827   0.7134833993
H    0.6062195616  -3.1016251972   2.3559663134
H    0.1588186660   0.9651620957   1.8806993910
H   -1.2820759647  -0.2368517274  -1.9812133321
H    2.2230672041  -1.2459487745   2.9734487478
H    1.2274693942  -2.1295131370  -1.0924247632
H    1.5101908501   2.6988581195   0.8299265903
H    0.0539083186   1.5216061386  -3.0173092645
H   -2.5958390160   2.5916944981   0.6307265354
H    1.4834690225   2.9942246008  -1.6297706920
H    4.1286648260   0.1047320376   2.2178622117
H    3.1160391289  -0.7654776379  -1.8573176201
H   -5.2792409153   1.0564153673  -2.1130982199
*