! 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  -5.3352042640  -0.8468222201   0.6864226728
O    3.4757963968   0.8721444988   0.4013462557
O    0.3894483086  -0.5806902521  -0.5307504599
N    1.1192224160   1.6277154163  -0.5889889323
N    0.8749336773   2.7277630946   0.1249477223
N    1.0736634571   3.2293046165  -2.0463874737
C    3.0082030983  -1.5373099852   0.5748502522
C    2.7054682357  -0.1828506918  -0.1213666060
C    1.2693733029   0.3314223211   0.0453120345
C    4.5326413545  -1.7025863443   0.6278872754
C    2.4603432492  -1.5774450473   2.0010423108
C    2.4529447311  -2.7143370624  -0.2324953455
C    1.2411393207   1.9405728062  -1.8827924830
C   -0.9306760868  -0.5620417532  -0.2054976777
C    0.8555784720   3.6627643618  -0.7879988493
C   -1.6955433576  -1.5808376150  -0.7674788781
C   -1.5311337889   0.3751068883   0.6265646469
C   -3.0476728243  -1.6711688147  -0.4959880513
C   -2.8899265486   0.2804528978   0.9001099644
C   -3.6403874512  -0.7374058171   0.3420730160
H    2.9027544963  -0.3117358227  -1.1968337537
H    1.0632892302   0.4978443766   1.1070834058
H    4.9899940114  -1.6171404523  -0.3621622568
H    5.0130335781  -0.9801093119   1.2891697912
H    4.7847211592  -2.6936892499   1.0090449524
H    2.8010146560  -2.4810045980   2.5108912540
H    1.3686684001  -1.5968172969   2.0324621634
H    2.8001539323  -0.7254786486   2.5936263650
H    1.3671964969  -2.7767706797  -0.2129046402
H    2.8341316548  -3.6532201325   0.1744401367
H    2.7661656665  -2.6668570290  -1.2785865330
H    4.3760640031   0.7937485355   0.0726025053
H    1.4410365982   1.2159981813  -2.6569444764
H    0.6713953506   4.6968022870  -0.5413299619
H   -1.2282030488  -2.3074909527  -1.4197344540
H   -0.9839481759   1.1961083667   1.0687299441
H   -3.6306225806  -2.4688517836  -0.9359783982
H   -3.3495643248   1.0135926068   1.5488039856
*