! 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   0.2804227703   0.6030881569   2.0009532317
Cl  -7.0433686385  -2.7576739726   0.9991521359
O    2.9306698397  -0.0576568285   0.9094145008
O    3.4540672680   0.3973344229  -1.1990018945
O   -2.7607081698  -0.1024476122  -1.9840862671
N    4.1504465168   2.4777617899   0.5333035685
N    5.0283991551   2.9271730949  -0.3668356012
N    6.0438539343   2.5364155212   1.5898463280
C    2.5704012867   0.7372942570  -0.1763688806
C    3.4724162824  -1.2812089235   0.4211359641
C    2.7832045300   2.2105402629   0.1782300630
C    3.7335789626  -0.9839428620  -1.0643322851
C    1.1206128775   0.5087444496  -0.6019554359
C    2.5357881145  -2.4483109500   0.6475620809
C    0.0550526789   0.4255853798   0.2914979197
C    0.8122401185   0.4057720446  -1.9564975010
C   -1.2489236363   0.2170428312  -0.1316554850
C   -0.4754670250   0.1839647724  -2.4072467741
C   -1.5081895818   0.0794594989  -1.4876168792
C    4.7711555729   2.2407891662   1.6922152650
C    6.1460808153   2.9513571033   0.3104033942
C   -3.7231815042  -0.7303238526  -1.2407980249
C   -3.4808301193  -1.9348940828  -0.5930300622
C   -4.9831738865  -0.1533532370  -1.2088747385
C   -4.5051300534  -2.5562059477   0.1023050828
C   -6.0125446121  -0.7821038916  -0.5256405693
C   -5.7642434904  -1.9760130806   0.1319825450
H    4.4086229247  -1.4538065383   0.9577611791
H    2.1344609014   2.4951256145   1.0055015813
H    2.5247616307   2.8382998186  -0.6728355242
H    4.7688591466  -1.1576272028  -1.3575653051
H    3.0871514128  -1.5847569405  -1.7145148840
H    2.3231526171  -2.5851697523   1.7080308595
H    2.9968846876  -3.3676608363   0.2821512318
H    1.5889115760  -2.3174171248   0.1209349690
H    1.6048785462   0.4891206472  -2.6872306942
H   -2.0460812743   0.1712366169   0.5983572992
H   -0.6781265537   0.0950710495  -3.4665133908
H    4.2639895854   1.8721223138   2.5695147789
H    7.0719985273   3.2852599878  -0.1319945833
H   -2.5039391544  -2.4005802418  -0.6254742700
H   -5.1657573995   0.7817259984  -1.7224907633
H   -4.3163384167  -3.4920985795   0.6102812620
H   -6.9963397618  -0.3333159021  -0.5048850221
*