! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.8611209162   2.4142074820   0.8545604058
Cl   5.5098289841  -1.2036248424  -0.5512629779
O   -1.1191797392  -0.8571426561  -0.0460441854
O   -0.5803932857   0.8494525165   1.3137539292
N   -2.1105821591   1.5241297812  -1.0677030472
N   -2.6026211556   2.5214093784  -0.3295631459
N   -4.2611906643   1.3808950050  -1.3113455302
C   -0.3190545049   0.2773323289   0.0640850031
C   -1.6220609821  -1.2124194833   1.2390339931
C   -1.6141148218   0.1271435231   1.9555718604
C   -2.9928828451  -1.8365823588   1.1068529486
C   -0.7074237969   1.2152838104  -1.0916486347
C    1.1617543718  -0.0726603349  -0.0499948732
C   -3.0153945679  -3.1407910675   0.3201334625
C    2.1860582585   0.8168794061   0.2713935447
C    1.5329061715  -1.3195944462  -0.5433597591
C   -4.4237976577  -3.6985912445   0.1834617389
C    3.5224309175   0.4764113630   0.1236028353
C    2.8590261870  -1.6856993755  -0.7006177827
C   -3.1100175389   0.8473886271  -1.6401303770
C    3.8462842748  -0.7781352188  -0.3615705785
C   -3.8929653007   2.3996346600  -0.5081344108
H   -0.9302356282  -1.9137920864   1.7240548564
H   -2.5734516873   0.6478277803   1.8541230508
H   -1.3838992119   0.0359478594   3.0176437305
H   -3.6723671846  -1.1104123557   0.6478130019
H   -3.3718374324  -2.0143625932   2.1185048146
H   -0.4766785573   0.7300664327  -2.0399992753
H   -0.1455232427   2.1457591063  -1.0510349502
H   -2.3729155204  -3.8764072276   0.8132569530
H   -2.5930169152  -2.9807670336  -0.6750656892
H    0.7669267196  -2.0320782958  -0.8154290538
H   -5.0734828567  -3.0044809475  -0.3538302309
H   -4.4286236884  -4.6414952152  -0.3649505764
H   -4.8781252616  -3.8837115484   1.1589889790
H    4.2964582949   1.1854898598   0.3826166137
H    3.1108770911  -2.6645960124  -1.0842430051
H   -2.9514333106  -0.0032017083  -2.2840352204
H   -4.5974583875   3.0744088035  -0.0469651654
*