! 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   0.0964489120  -1.1396901272   2.8519596387
Cl  -4.5248463053  -1.3942809539   0.1539178091
O    3.4333785329  -1.1018246645  -0.5107574226
N    2.1156623898  -1.4248793169  -0.4181432473
N    1.7405245907   3.1224664176  -2.2973623212
C    1.8629889339   0.8027819116   0.6617931668
C    1.4049069118  -0.5391345038   0.1494460373
C   -0.0520412575  -0.8142468577   0.1708158208
C    1.3845989443   1.8768154468  -0.2784702502
C   -0.7553571145  -1.0419242943   1.3493371485
C   -0.7723746624  -0.7956111892  -1.0196960012
C    0.1693252556   2.5238367353  -0.0927240019
C    2.1249951382   2.2197379764  -1.4056782137
C   -2.1286591485  -1.2243388423   1.3605473968
C   -2.1442793030  -0.9785573524  -1.0419037881
C   -2.8101170562  -1.1823018087   0.1552754486
C   -0.2440847692   3.4673507473  -1.0189405007
C    0.5761096552   3.7307566483  -2.1041787862
C    4.1487436471  -2.1650725305  -1.1118528505
H    1.4434764361   0.9752564196   1.6541113445
H    2.9460831517   0.8360573379   0.7657546224
H   -0.2488015918  -0.6209408743  -1.9502308221
H   -0.4485857648   2.2972269730   0.7681591004
H    3.0797086964   1.7361356081  -1.5903072238
H   -2.6523512008  -1.4025714841   2.2895392287
H   -2.6818713180  -0.9526538508  -1.9793756428
H   -1.1832583583   3.9909474769  -0.9032552861
H    0.2817822318   4.4636107988  -2.8470475980
H    4.0945213185  -3.0789925763  -0.5157630509
H    5.1865054442  -1.8406976876  -1.1654813409
H    3.7907736658  -2.3746062996  -2.1224408227
*