! 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   0.6365052084  -1.2759233612   2.5185588738
Cl   4.3758525810  -1.5170664118  -1.2710041752
O   -1.9937357441   0.2961835826  -0.7955260287
O   -1.9433519555  -0.9779519322   1.0351420742
N   -0.3802954678   2.2912591756   0.6688306276
N    0.8940996110   2.4263567549   1.0429945717
N    0.4152199313   3.8364584445  -0.6277670356
C   -1.2459217974   0.0144690447   0.3550292169
C   -2.9016255057  -0.7790841625  -1.0519532587
C   -2.5322351125  -1.7884937100   0.0345857131
C   -1.2170580958   1.2682559128   1.2387448592
C    0.1636027165  -0.4287949826  -0.0389170603
C   -4.3315721758  -0.2704075761  -0.9808785919
C   -5.3427670262  -1.3171813651  -1.4221885507
C    1.0654986563  -0.9861249361   0.8651513620
C    0.6154457909  -0.2202561148  -1.3377628819
C    2.3569572231  -1.3285177603   0.4964524206
C    1.9004274718  -0.5496365669  -1.7350344824
C   -0.6507463996   3.1325561906  -0.3334894541
C    2.7630491357  -1.1024133344  -0.8070165434
C    1.3301369897   3.3636395304   0.2424110391
H   -2.7004626011  -1.1835913517  -2.0490323641
H   -3.3874987846  -2.3056282676   0.4685552233
H   -1.8260167858  -2.5411954172  -0.3322644235
H   -0.8329633368   1.0390141879   2.2295965333
H   -2.2325575877   1.6488503452   1.3493316076
H   -4.4199999469   0.6094528110  -1.6233488595
H   -4.5520640819   0.0597784593   0.0387788875
H   -5.1718773948  -1.6291615143  -2.4541668760
H   -5.3115135790  -2.2124347395  -0.7982396102
H   -6.3571397944  -0.9222096129  -1.3637261180
H   -0.0490574111   0.2176460492  -2.0685266808
H    3.0350065171  -1.7602409101   1.2195062490
H    2.2156882966  -0.3727539534  -2.7538652384
H   -1.6201206876   3.2012335094  -0.8010277145
H    2.3456359308   3.7251298429   0.2909784082
*