! 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  -0.4668893916   1.3241957920  -0.6330917567
Cl  -5.7301358302   0.1629083231  -0.0661242413
O   -0.1086282386  -1.4039654567   0.3846167182
O    2.5897389462  -0.9537506954  -1.8706096143
N    2.3174193073  -0.4148826704   0.3299061339
C    0.6183756506  -1.7284408070  -0.8031403938
C   -1.4041285451  -1.0299923508   0.2424878382
C    1.9434900242  -0.9723844623  -0.8380461405
C    0.8620535707  -3.2257726654  -0.8540051888
C   -3.0701600067   0.6641115190  -0.3474375917
C   -1.7463786889   0.2364498596  -0.2240414619
C   -2.4123008167  -1.9062245943   0.6090129148
C    3.4494879406   0.3478349546   0.6315549549
C   -4.0493310000  -0.2541288997   0.0336027420
C   -3.7343918851  -1.5169296677   0.5109243191
C   -3.3730912555   2.0384435392  -0.8544020046
C    4.4298557679   0.7089042430  -0.2928427143
C    3.5732201347   0.7735641233   1.9566045947
C    5.5030864900   1.4882087544   0.1195729724
C    4.6489812311   1.5477915006   2.3518819081
C    5.6242221427   1.9134723799   1.4333550476
H    0.0564487415  -1.4215383375  -1.6904056378
H    1.4256429551  -3.4904821684  -1.7473666130
H   -0.0864008609  -3.7619769391  -0.8914845327
H    1.4198448478  -3.5668118890   0.0188622360
H    1.6582961136  -0.5143262195   1.0885488415
H   -2.1587642687  -2.8891240697   0.9836713939
H   -4.5196322184  -2.2004657824   0.8023419775
H   -4.4403395300   2.2256086491  -0.9210958636
H   -2.9494492704   2.1913085492  -1.8476387855
H   -2.9457678459   2.7995663311  -0.2000711425
H    4.3677648475   0.3986062748  -1.3230228963
H    2.8182603520   0.4948963530   2.6830245544
H    6.2543838383   1.7656521970  -0.6087105429
H    4.7222663816   1.8657662202   3.3837922089
H    6.4651746822   2.5217836208   1.7385299592
*