! 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  -4.8907348170   0.3695756945   1.9175470084
F   -1.9327606598  -3.1376464526  -0.3889699318
F   -1.0378975467  -2.1018743631  -2.0425425723
F    0.0542924269  -2.3478631807  -0.2086553684
O    3.4591306104   0.9193335759  -1.6733640661
N    1.6685142801   0.0093706353   0.3307873692
N    0.0321191681   0.4722049313  -1.3288191202
N    2.9038184260  -0.8835766975   1.9319324624
C    1.2271780137   0.2575208396  -0.9733748448
C    2.2966718931   0.2391785550  -2.0427692380
C    3.2866218094   2.3243160107  -1.5856645920
C   -1.0945456262   0.4101759622  -0.5171120792
C    4.5164777361   2.9379902060  -0.9562493843
C   -1.7279384449  -0.8000976184  -0.2094247830
C   -1.6781145204   1.5999986025  -0.0857464038
C   -2.8981716778  -0.8055489012   0.5396965832
C    1.0773732193   0.3594015896   1.5327541738
C    4.7612026496   2.4695849824   0.4707518736
C    2.7698362461  -0.7408382018   0.6517619511
C   -1.1646385229  -2.0950321319  -0.7107593022
C   -2.8360415757   1.5962388900   0.6676045995
C   -3.4378338977   0.3881667239   0.9802588466
C    1.8590290986  -0.1872490984   2.4924044486
H    1.8447791700   0.6393006928  -2.9561496928
H    2.5715029947  -0.7990710500  -2.2501126979
H    2.4054051837   2.5755486564  -0.9790056055
H    3.1116137990   2.7417663912  -2.5851552523
H    5.3909382959   2.7325395650  -1.5796971234
H    4.3782564135   4.0214936781  -0.9732732779
H   -1.2095279480   2.5414040623  -0.3389296797
H   -3.3936683957  -1.7342034593   0.7837415297
H    0.2114564949   0.9908100999   1.6098644548
H    5.6033826194   3.0001606069   0.9155663660
H    3.8873074883   2.6489875497   1.1011126961
H    4.9850499860   1.4040413622   0.5169623563
H    3.4163865965  -1.1808866743  -0.0888565696
H   -3.2624019754   2.5319337677   1.0020541820
H    1.7316941126  -0.1140236759   3.5601999049
*