! 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 "WATER"
end
*xyz 0 1
Cl  -5.0955624075   1.2952229371   0.7532072524
F   -1.9417979039  -0.9579008086  -2.6377905437
F    0.0156517984  -0.4137769577  -1.9434199253
F   -0.7961949653  -2.3462366104  -1.4684142536
O    2.3457977669   1.0776795534  -0.6240998127
N    2.5274119293  -1.2901324616   0.8386549917
N    0.2626079860  -1.1635603839   0.9222257830
N    4.6600801970  -1.7878299934   1.1067397929
C    1.3518892294  -0.5414533900   0.7630671291
C    1.5223369965   0.9306143820   0.5027849692
C    2.2009648393   2.3201805316  -1.2885776664
C   -0.9718660123  -0.5247532876   0.8483345549
C    2.6639933364   3.5202727940  -0.4823173051
C   -1.7052937302  -0.4872608566  -0.3433580214
C   -1.5390260103   0.0105125525   2.0013308134
C   -2.9718593749   0.0806103638  -0.3707086368
C    2.6176516868  -2.6666318531   0.7868735177
C    2.6170900000   4.7859849267  -1.3254346354
C    3.7980780966  -0.8221270463   1.0307498681
C   -1.1118466783  -1.0531018043  -1.5966342379
C   -2.8013352871   0.5744239378   1.9789955883
C   -3.5108432421   0.6044519857   0.7901374693
C    3.9326691862  -2.9453403804   0.9451808909
H    1.9432167374   1.4041857288   1.4000310165
H    0.5362644526   1.3806476530   0.3486563707
H    1.1564862152   2.4611410088  -1.5980862641
H    2.7978742782   2.2330615188  -2.1984491101
H    2.0344192588   3.6511693784   0.4016419165
H    3.6826653022   3.3480626443  -0.1251456308
H   -0.9853445217  -0.0238547053   2.9297774390
H   -3.5425827555   0.1185727879  -1.2875768688
H    1.7601529428  -3.2960995644   0.6289194653
H    2.9107552610   5.6579829342  -0.7420828167
H    3.2912281245   4.7189588556  -2.1806972114
H    1.6132998380   4.9728399463  -1.7105265998
H    4.0321068154   0.2242245896   1.1287436238
H   -3.2216751415   0.9857592777   2.8861090751
H    4.4024032982  -3.9153890379   0.9487190661
*