! 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   2.0255778556   1.2885198825   3.0088517650
Cl  -6.7428450719   0.8138555579  -2.8197285096
O    3.4018331897  -0.0192338029  -1.0805297218
O    3.7988912755   1.3257378971   0.6586568397
O   -2.4948275523   0.3065055894   1.1780416350
N    2.9779761700  -2.2347760981   0.8036908523
N    2.0103146050  -2.6367437599   1.6303658373
N    2.1328299776  -3.9908438965  -0.1480157569
C    3.1189440514   0.1643079982   0.2707396164
C    3.5324180843   1.2786726295  -1.6555663092
C    3.7099747041  -1.0190093870   1.0480624325
C    4.1363827230   2.0720494581  -0.5001087152
C    1.6139667646   0.2784316054   0.5004047630
C    4.3888747376   1.2119243239  -2.8935299778
C    1.0483392973   0.7428213649   1.6853314884
C    0.7339944570  -0.1911355715  -0.4699962696
C   -0.3220119563   0.7758536959   1.8805095635
C   -0.6392555448  -0.1903332745  -0.2972184578
C   -1.1659381626   0.3046486810   0.8862515314
C    3.0364667841  -3.0472449035  -0.2555068367
C    1.5344723789  -3.6920897053   1.0225930364
C   -3.4344809703   0.4217124828   0.1922817389
C   -4.5573816893  -0.3858838435   0.2926130772
C   -3.3253410018   1.3527260097  -0.8326486490
C   -5.5826930681  -0.2621104585  -0.6315581436
C   -4.3438644431   1.4670487005  -1.7651764174
C   -5.4665472613   0.6606909901  -1.6583907646
H    2.5408997249   1.6731445591  -1.9099680159
H    3.6825487929  -0.8255106956   2.1179264861
H    4.7512159310  -1.1571583894   0.7551990974
H    5.2256399380   2.1442930233  -0.5805746350
H    3.7269373513   3.0820293014  -0.4359337808
H    4.5280672613   2.2147431522  -3.2988754085
H    5.3732725488   0.7960467493  -2.6734895352
H    3.9193649171   0.6072948741  -3.6697539508
H    1.1276480057  -0.5878294683  -1.3954831605
H   -0.7376158110   1.1509900841   2.8065542286
H   -1.2735863185  -0.5856682805  -1.0792915533
H    3.7435979723  -2.9193425929  -1.0599862095
H    0.7274848952  -4.2735181902   1.4410136813
H   -4.6380533022  -1.1056488316   1.0969712946
H   -2.4600737259   1.9982242841  -0.9132121388
H   -6.4597079546  -0.8893972283  -0.5475771784
H   -4.2581910459   2.1912037833  -2.5637929008
*