! 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  -4.9937496793   1.5585626510  -0.6053369424
F   -0.8882088257  -2.7093709157   0.4288112162
F   -0.1110058338  -1.1881214728   1.7367932938
F   -2.1339499625  -1.8682269016   1.9601615561
O    2.6647286672   1.8522021761   0.2875412667
N    2.7380747462  -0.6492914091  -1.1222175259
N    0.4793044879  -0.5955647858  -1.0048196318
N    4.8518762848  -1.1137469969  -1.5473955416
C    1.5531668022   0.0674861292  -0.9395223180
C    1.6909862620   1.5530698501  -0.6679199537
C    2.3884269846   1.4118163619   1.6081204972
C   -0.7830441427  -0.0378066297  -0.8880026119
C    1.2683259716   2.1704178495   2.2996595231
C   -1.6624425802  -0.5119553251   0.0956038964
C   -1.2480849058   0.9142117395  -1.7935466837
C   -2.9527918407  -0.0119008065   0.1855712645
C    2.8297830725  -2.0248371630  -1.2087038886
C    1.1243078362   1.7202175438   3.7460913614
C    4.0005909064  -0.1603080801  -1.3377997632
C   -1.1997040501  -1.5684928404   1.0531166868
C   -2.5378887807   1.4074562693  -1.7141362799
C   -3.3810455286   0.9454238009  -0.7186388978
C    4.1338559081  -2.2833195074  -1.4643977468
H    0.7079466670   1.9503547175  -0.3993159312
H    1.9836474542   2.0562801580  -1.5936805502
H    3.3212281641   1.5572975777   2.1565099296
H    2.1823237258   0.3332457564   1.6281913690
H    1.4820230345   3.2417514621   2.2616972740
H    0.3153097239   2.0214264771   1.7851122620
H   -0.5974600632   1.2607854311  -2.5860826802
H   -3.6314270526  -0.3620352073   0.9503288372
H    1.9767642431  -2.6657139976  -1.0733572922
H    2.0425488512   1.8888188819   4.3116990374
H    0.3254126990   2.2664835811   4.2476066241
H    0.8850358898   0.6575725010   3.8142545184
H    4.2316066108   0.8912668677  -1.3414246985
H   -2.8749712791   2.1466132839  -2.4278948327
H    4.6022587994  -3.2466147077  -1.5906939723
*