! 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   6.5036476618  -1.5749551476   2.4598749248
N   -3.2883714081   1.0240140601   0.3622925716
N   -4.1944703381   0.0802675921   0.6376317781
N   -5.1412655785   1.7749363674  -0.4888426243
N   -2.0626851611  -2.3829713975  -0.6059038292
C   -1.1490591867   0.0640079326  -0.4693129962
C    0.3551609809  -0.0430525407  -0.1237685616
C   -1.8923894104   0.8339387889   0.6508832264
C   -1.3742702450   0.7918343455  -1.7910215286
C    0.6664784695  -0.8472845561   1.1309110274
C    2.1377621344  -1.0018261523   1.4231254313
C   -1.6842511678  -1.2972532159  -0.5449459408
C   -2.3022117358   0.3471128159  -2.7268440319
C   -0.7146626594   1.9976380481  -2.0241039342
C    2.5299514788  -1.8752871819   2.4383780302
C    3.1320495724  -0.3092746604   0.7403708038
C   -2.5587852013   1.0846411839  -3.8751889005
C   -0.9707766702   2.7334065778  -3.1709412786
C   -3.8649614747   2.0150587431  -0.3214401351
C   -1.8949928623   2.2798282053  -4.1020379364
C    3.8623665951  -2.0570484395   2.7659977291
C    4.4755154344  -0.4788717442   1.0535251519
C   -5.2823991054   0.5779782237   0.1123888598
C    4.8301686368  -1.3527491624   2.0645504530
H    0.7383508598   0.9715043612  -0.0090283831
H    0.8633457608  -0.4803442163  -0.9851824947
H   -1.8105522937   0.3219468276   1.6067162209
H   -1.4259983428   1.8121359263   0.7597257770
H    0.2315907306  -1.8474746618   1.0558821789
H    0.1979778034  -0.3854587911   2.0038738158
H   -2.8432371678  -0.5783572581  -2.5757070121
H    0.0001692761   2.3853902947  -1.3103991485
H    1.7779044201  -2.4292749546   2.9873801635
H    2.8822330192   0.3812986590  -0.0539734369
H   -3.2841951218   0.7202625179  -4.5903084405
H   -0.4473744207   3.6662935164  -3.3327104040
H   -3.3288493070   2.8897124573  -0.6551493941
H   -2.0968882669   2.8560344275  -4.9951295680
H    4.1402123426  -2.7410985008   3.5563262477
H    5.2302698414   0.0697777525   0.5068267291
H   -6.2253847942   0.0580641752   0.1756884402
*