! 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   5.0077672163   3.8998973757  -1.2908906006
O   -1.7889709169  -0.8276487547   1.6473377779
N   -1.5963904529  -3.0026741658   0.0690709565
N   -0.7077575548  -3.3357038574   1.0100829074
N   -2.2049163444  -4.9728632387   0.7456657453
C   -1.7766949321  -0.4847373496   0.2825907685
C   -3.1890080676   0.1148833777  -0.0131069577
C   -0.6548598357   0.5321190427  -0.0110669982
C   -1.4923082346  -1.7378210935  -0.6164939735
C   -4.2726433187  -0.9631442261   0.1030122673
C   -3.5309362290   1.2202502983   0.9940661204
C   -3.2464684866   0.7165621863  -1.4195387522
C    0.6870452324   0.1705959696   0.6345596851
C    1.7808492607   1.0893073233   0.1689807469
C   -2.4816667997  -3.9873955065  -0.0771924506
C    2.5676193008   0.7656807318  -0.9330428137
C    2.0123008522   2.3060147927   0.8053663585
C   -1.1143206307  -4.5221795885   1.3895705486
C    3.5599689358   1.6206553209  -1.3890775752
C    2.9980234028   3.1762429785   0.3642418747
C    3.7664242031   2.8235772917  -0.7334656520
H   -0.9399952143   1.5278393201   0.3347476918
H   -0.5206206972   0.6137598481  -1.0933867540
H   -2.1652972847  -1.7762458816  -1.4703276591
H   -0.4857956485  -1.6880812701  -1.0322388316
H   -5.2595321542  -0.5023602173   0.0301832482
H   -4.2320866706  -1.4904199086   1.0560742814
H   -4.2250023791  -1.7010332882  -0.6995812651
H   -2.8122502440   2.0409076650   0.9849323761
H   -3.5990217132   0.8460563591   2.0150067117
H   -4.5024567149   1.6510951295   0.7448057720
H   -2.9801345091   0.0016256919  -2.2010369571
H   -4.2622361569   1.0524599932  -1.6366212037
H   -2.5940703201   1.5835277354  -1.5290052933
H    0.9664946517  -0.8621644619   0.4050410233
H    0.6012001965   0.2363482581   1.7209072486
H   -1.0462537372  -1.4103624437   1.8520953164
H   -3.2909847619  -3.9500527214  -0.7885621604
H    2.4127442921  -0.1749173634  -1.4485731614
H    1.4193991171   2.5848024729   1.6684497316
H   -0.6010891452  -5.0807389706   2.1567312353
H    4.1647666728   1.3459624758  -2.2427757329
H    3.1644605682   4.1141566394   0.8767496841
*