! 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   6.2213089572   0.9194747361  -0.2581088151
O   -2.2799507302  -0.9145592619  -1.3639806588
N   -2.7263673817   1.5321585169   0.1889699347
N   -2.9008514783   1.7535445714  -1.1168210383
N   -2.7140122012   3.6924419223  -0.0293087638
C   -1.8467964435  -0.8356488617  -0.0269142618
C   -2.0785440134  -2.2011350509   0.7114155817
C   -0.3092011465  -0.6120715499   0.0615592853
C   -0.6855612181  -2.7457564469   1.0329857261
C    0.1465007448  -1.4874004928   1.2242144819
C   -3.0611753874  -3.1797343945   0.0526413747
C   -2.7006431891   0.1899346502   0.7418604066
C    0.2087721444   0.8273933126   0.1108480895
C   -2.4851977932  -3.9612924712  -1.1253686283
C   -3.5990648336  -4.1574700016   1.0961552486
C    1.7090227182   0.8783245299   0.0247139820
C   -2.6202679733   2.6980256896   0.8243962785
C    2.4956856917   1.0483521799   1.1598390029
C    2.3519802412   0.7242555645  -1.2015232790
C    3.8812640887   1.0619453995   1.0845302623
C    3.7345857651   0.7355015414  -1.2992361613
C   -2.8804372379   3.0616011247  -1.2036160705
C    4.4901803302   0.9032268633  -0.1491067613
H   -2.5231285738  -1.9426760726   1.6810337154
H    0.0877052365  -1.0707393925  -0.8527253417
H   -0.2784801443  -3.3217658939   0.1979828103
H   -0.6874055375  -3.4005723373   1.9057376021
H   -0.0834545030  -1.0108198109   2.1843369012
H    1.2205707592  -1.6774680046   1.2100922691
H   -3.9120205202  -2.5957491812  -0.3142072825
H   -2.3509226361   0.2828389705   1.7695711659
H   -3.7293888647  -0.1781597725   0.7825528782
H   -0.1091700156   1.3123007284   1.0369134895
H   -0.2074000715   1.4042607344  -0.7188497208
H   -2.4328252889  -0.0163137231  -1.6978566915
H   -1.7470605303  -4.6972571753  -0.7985251163
H   -3.2777989029  -4.5155019479  -1.6328713190
H   -2.0097492547  -3.3204050822  -1.8656676728
H   -2.8005516989  -4.7677396790   1.5250349432
H   -4.3268775254  -4.8422285838   0.6558807980
H   -4.0956280592  -3.6392090411   1.9193469901
H   -2.4750431155   2.7738255354   1.8906604621
H    2.0250789198   1.1755902245   2.1274359542
H    1.7658630960   0.5975868076  -2.1043605523
H    4.4735004051   1.1974916463   1.9795641861
H    4.2137891430   0.6188587497  -2.2620590328
H   -2.9904435445   3.5717926868  -2.1477241168
*