! 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  -4.4979977747  -0.2411488645  -0.4037350104
O    0.9647725695   0.4933355414   1.5664650525
O    4.6213243630  -0.0123620395  -2.7248137722
O    2.4096303652   0.0553894734  -2.4863813350
C    2.5487208291  -0.8163320616   0.2380984224
C    2.1000001154   0.5565467749   0.7151440978
C    3.7717903443  -0.7414555509  -0.6618844247
C   -0.2649242797   0.3191647965   1.0422530316
C   -1.3121109512   0.2288690865   1.9742526912
C   -0.5349576303   0.2421967207  -0.3200975745
C   -2.6060454364   0.0582515736   1.5060051586
C   -1.0336966776   0.3194160531   3.4432680461
C   -1.8374356943   0.0711747871  -0.7713421139
C    3.5016337088  -0.1885190013  -2.0327830728
C   -2.8649655132  -0.0210140048   0.1448320699
H    1.7430094934  -1.3448761552  -0.2743388451
H    2.8053400198  -1.4169763449   1.1130126515
H    1.9196598563   1.2452583054  -0.1151122636
H    2.8854127218   1.0007941985   1.3289071109
H    4.1893220382  -1.7435183893  -0.7989701837
H    4.5705909328  -0.1565890381  -0.1964678838
H    0.2530756172   0.3046758951  -1.0578639845
H   -3.4193609801  -0.0132030410   2.2169440675
H   -1.9532858322   0.2174843758   4.0180824169
H   -0.3479352831  -0.4615333964   3.7757970584
H   -0.5821839509   1.2761996421   3.7114995405
H   -2.0283016184   0.0093404997  -1.8339570021
H    4.4129689426   0.3231613949  -3.6102775909
*