! 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   5.1398736039   0.4803073955   0.9034362915
O   -1.3429879157   0.0451403952   1.1344390252
N   -0.0573669745  -1.9757654786  -0.5445220401
N    0.6979213684  -1.8003879949   0.5452182900
N    1.9472691251  -2.5581322787  -1.1431681827
C   -1.8180465121  -0.2492432069  -0.1542222232
C   -3.3705258921  -0.1096015044  -0.1717197292
C   -1.3068002839   0.7462688484  -1.2541567369
C   -3.6374987694   1.2266504138  -0.8585491296
C   -2.5828219738   1.2409896166  -1.9524688843
C   -4.1022218137  -0.3666141996   1.1554244935
C   -1.4786924924  -1.7003139419  -0.5239918617
C   -0.4906287345   1.9210230285  -0.6984667329
C   -4.1577769845   0.8429159408   2.0844158190
C   -5.5204035613  -0.8636132660   0.8801502889
C    0.9095760762   1.5639212429  -0.2778880271
C    0.7032281282  -2.4237129122  -1.5435685365
C    1.3368417094   1.6789305223   1.0416259688
C    1.8309387277   1.1201379859  -1.2243126181
C    2.6338975725   1.3555938665   1.4141636782
C    3.1294935006   0.7890975007  -0.8741732739
C    1.8918900063  -2.1585683968   0.1391223170
C    3.5197804928   0.9081574537   0.4494379296
H   -3.7272533975  -0.8759927562  -0.8732616619
H   -0.6746982374   0.2227364365  -1.9778430531
H   -3.4876782395   2.0657106159  -0.1738969147
H   -4.6554623946   1.3053767942  -1.2446805780
H   -2.8714104497   0.5484991044  -2.7487397387
H   -2.4479427555   2.2186880666  -2.4193212117
H   -3.5746715613  -1.1690256157   1.6824145135
H   -1.8596565567  -1.9339625729  -1.5175291639
H   -1.9531601003  -2.3881827041   0.1805863775
H   -1.0171017370   2.4025621705   0.1273342999
H   -0.4214591487   2.6707226711  -1.4927096672
H   -0.4569989529  -0.3324777147   1.2448368872
H   -4.5726935739   0.5567511998   3.0534595685
H   -3.1770350095   1.2795586556   2.2638243322
H   -4.8042144495   1.6273229610   1.6836500896
H   -6.0613003593  -1.0520349052   1.8101443063
H   -5.5186093237  -1.7950039946   0.3098880482
H   -6.1000748417  -0.1315785395   0.3121895010
H    0.3111899318  -2.6439197836  -2.5242100991
H    0.6489317396   2.0297731256   1.8009076085
H    1.5385537312   1.0302115267  -2.2637875227
H    2.9430648578   1.4516055459   2.4465195221
H    3.8243949978   0.4419324141  -1.6265425554
H    2.7488570776  -2.1262296812   0.7932074254
*