! 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   0.5392133340  -1.2465151991   2.3509523729
Cl   1.3959176637  -5.3875505251  -0.8917557883
O   -0.7423719133   0.7573683864   0.6429984792
O   -0.0687466154   1.0744972223  -1.4722540404
N    1.3579833235   2.6516729331   0.3813686152
N    1.0140847691   3.1514135855   1.5704108599
N    1.0012447381   4.7595324628   0.0120792620
C    0.3078746291   0.5245762284  -0.2447536657
C   -1.7921322741   1.4723372457  -0.0051679705
C   -1.4766351697   1.2257402584  -1.4730126027
C   -3.1288225060   0.9552394488   0.4958365081
C    1.5905317959   1.2446147409   0.1949387572
C    0.5733070245  -0.9731125367  -0.3707112455
C   -4.3176669826   1.8518848044   0.1620126313
C    0.6818533677  -1.8263665156   0.7265152260
C    0.7535956027  -1.5319324278  -1.6321505077
C   -4.6448231149   1.9847511072  -1.3184802964
C    0.9319062337  -3.1822724262   0.5753023781
C    1.0060886961  -2.8814666519  -1.8119912227
C    1.3389997088   3.6197311126  -0.5398951362
C    1.0872289784  -3.6985581006  -0.6990298050
C    0.8160992394   4.4162244947   1.3030406566
H   -1.7024775186   2.5416602106   0.2316797981
H   -1.9725089812   0.3227294937  -1.8498877043
H   -1.7248210980   2.0608576131  -2.1256961987
H   -3.0643785589   0.8681725851   1.5834797124
H   -3.2967764115  -0.0564690892   0.1117905123
H    2.3612430457   1.1070989627  -0.5639801145
H    1.9713289722   0.8391386053   1.1298361769
H   -4.1511289414   2.8453778383   0.5892283999
H   -5.1918391567   1.4488336566   0.6789315482
H    0.6949800077  -0.9004001460  -2.5073460489
H   -4.7862367366   1.0098082322  -1.7893086707
H   -5.5675166790   2.5498835355  -1.4587993827
H   -3.8689977901   2.5142381461  -1.8731272667
H    1.0045416221  -3.8228540978   1.4432135071
H    1.1366793778  -3.2816382181  -2.8076990233
H    1.5826964595   3.4518395051  -1.5769147831
H    0.5296617043   5.1209962019   2.0684094925
*