! 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   5.9366015644   0.0996881682  -0.2195357718
O   -2.6304630694   0.2326646436   1.7233798337
N   -2.2127372076  -1.8213887208  -0.3066325640
N   -1.3569762131  -2.1420438254  -1.2789038478
N   -1.1275035452  -3.5401099719   0.4519352558
C   -3.1171529773   1.8827077123  -0.0753906455
C   -2.4453088131   0.5521561431   0.3711479594
C   -2.4187021434   2.1512810076  -1.4154471650
C   -0.9990424311   0.7518691155  -0.0403690986
C   -0.9750040095   1.6454310649  -1.2480901598
C   -3.0364887716  -0.6429237081  -0.4040037043
C   -2.7663647774   2.9908169639   0.9209865646
C   -4.6329364832   1.8001508371  -0.2028614923
C    0.0111787327   0.2045315874   0.6408513755
C    1.4473668517   0.2364629071   0.3767312364
C   -2.0608125271  -2.6578367829   0.7222902778
C    2.0412274905   0.7458738265  -0.7829756443
C    2.2966015839  -0.3177907057   1.3422917664
C   -0.7297191951  -3.1774679508  -0.7828631218
C    3.4137699319   0.7091194875  -0.9663702747
C    3.6688849260  -0.3621832770   1.1744090660
C    4.2214118620   0.1554033298   0.0136112804
H   -2.4563624413   3.2073122584  -1.6855383503
H   -2.9203158553   1.6116386889  -2.2216296967
H   -0.2763865722   2.4724974190  -1.1006196739
H   -0.6381133050   1.1098039771  -2.1394243298
H   -3.1386880060  -0.4217573848  -1.4636709594
H   -4.0287672480  -0.8766562453  -0.0173333409
H   -1.6914316405   3.0889347952   1.0910453167
H   -3.1187040721   3.9522630390   0.5436110817
H   -3.2452174114   2.8375171337   1.8899893250
H   -5.0973720950   1.5008986100   0.7391045042
H   -5.0443595842   2.7750954026  -0.4707395547
H   -4.9559825122   1.0996088395  -0.9742934502
H   -2.1077610541   0.8344114569   2.2650770771
H   -0.2481276137  -0.3757234496   1.5218594482
H   -2.6458506359  -2.5941981890   1.6253374212
H    1.4431601199   1.1648577197  -1.5771031691
H    1.8723096781  -0.7304376503   2.2495175924
H    0.0403961010  -3.6942700773  -1.3343207340
H    3.8451039852   1.1052600649  -1.8757127826
H    4.2964548479  -0.7996007915   1.9391946265
*