! 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  -6.3545473265   2.0118445819  -1.6262369104
O    2.8525558278   1.6620078973  -0.0367415937
O    2.0314186201  -1.6587809876   2.2690373804
N    2.4401250211  -0.5179084030   0.3498162832
N    1.8846323662  -2.7987494885   0.3116612989
N    0.7649372928  -4.3216342141  -0.8158096235
C    2.5651030093   0.7996181049   1.0356674243
C    2.9351800584  -0.4300893802  -1.0501841322
C    3.6173727086   0.9398672202  -0.9662111682
C    1.2612422735   1.2676234606   1.6771781375
C    3.7150698207   0.8201822458   2.0407562987
C    3.9592515942  -1.4940949873  -1.4202613245
C    1.8114623320  -0.3748462006  -2.0802524931
C    0.0398737376   1.2310494197   0.7687448438
C    2.1320663042  -1.6067099243   1.0615425782
C   -1.1873759152   1.7811901920   1.4809709442
C   -2.4559515105   1.8232348864   0.6675839253
C    2.5738508113  -3.9774170411   0.4622374258
C    0.7902459268  -3.0741579036  -0.4490917910
C   -2.5732980225   1.2534660384  -0.5958785423
C   -3.5800695987   2.4554888585   1.2010142982
C    1.8772229497  -4.8947305517  -0.2607878171
C   -3.7660560220   1.3057449607  -1.3071833307
C   -4.7770648546   2.5189629372   0.5094186005
C   -4.8606771693   1.9389025339  -0.7479707545
H    4.6625885527   0.8430178658  -0.6470239537
H    3.6053763665   1.4651392663  -1.9206087975
H    1.4335699864   2.2928270359   2.0185192552
H    1.0740932271   0.6799904988   2.5765844652
H    3.5043967531   0.2117161568   2.9157100785
H    3.8739285945   1.8454320796   2.3768905724
H    4.6470283660   0.4620077593   1.6010708193
H    4.5056361768  -1.1587627255  -2.3034908055
H    3.5083630685  -2.4515188215  -1.6745317209
H    4.6892832722  -1.6518531190  -0.6253582154
H    2.2341950100  -0.1508331834  -3.0604149986
H    1.2850513393  -1.3214941414  -2.1755090933
H    1.0851915372   0.4035649031  -1.8479883309
H    0.2290023508   1.8134248768  -0.1360791794
H   -0.1547352476   0.2026257573   0.4531186972
H   -0.9723178430   2.7935075087   1.8366479321
H   -1.3748777783   1.1892466200   2.3829349227
H    3.4861007838  -4.0442890649   1.0311933600
H    0.0346362282  -2.3346530501  -0.6640773067
H   -1.7318127782   0.7534289591  -1.0572315322
H   -3.5211321045   2.9120459317   2.1820701354
H    2.1197965604  -5.9344345897  -0.4145106471
H   -3.8305874500   0.8538382667  -2.2878992822
H   -5.6324686942   3.0166969039   0.9460547481
*