! 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  -4.9064260566   1.7593205477  -0.2805084615
F   -0.3680266893  -1.7567226758   1.6100185175
F   -2.4366006873  -2.3344371899   1.6475235492
F   -1.1744283179  -2.9823772262   0.0371699420
O    2.3907519574   1.6595964189   0.0524065756
N    2.6003012527  -1.0776271319  -0.8034143756
N    0.3603473106  -0.7844997009  -1.0461638604
N    4.7109253882  -1.7226853111  -0.7561075076
C    1.4200858539  -0.4163502423  -0.4631654568
C    1.5455992359   0.6669831448   0.5749721406
C    2.8876593985   2.5569550368   1.0327696829
C   -0.8599095350  -0.1568758933  -0.8103171196
C    1.8409029645   3.5082602490   1.5859975083
C   -1.8004707882  -0.7126823058   0.0641892690
C   -1.1959239155   0.9958074096  -1.5137943964
C   -3.0440438153  -0.1184294862   0.2282829067
C    2.7472996257  -2.0139731938  -1.8076826019
C    2.4597018882   4.4757707752   2.5839212429
C    3.8267204481  -0.9486342092  -0.2097368596
C   -1.4497740444  -1.9466809309   0.8372283178
C   -2.4352695704   1.5895658966  -1.3551792426
C   -3.3523123831   1.0267776404  -0.4839770687
C    4.0463020179  -2.3902824420  -1.7594023809
H    1.9472434199   0.2339988186   1.5016270017
H    0.5514534752   1.0530763691   0.8142041854
H    3.6814885535   3.1228841658   0.5406236515
H    3.3525501892   1.9924173371   1.8535033641
H    1.3847651385   4.0623960111   0.7615749490
H    1.0382174988   2.9505452764   2.0763393998
H   -0.4803662894   1.4267420900  -2.2008521654
H   -3.7736007022  -0.5370271784   0.9068160714
H    1.9355194030  -2.3127713129  -2.4460417877
H    2.8899484866   3.9490070532   3.4374623827
H    3.2541325682   5.0684506748   2.1270945404
H    1.7135110141   5.1695805868   2.9703813135
H    4.0161306847  -0.2923024705   0.6230100774
H   -2.6771661699   2.4853293279  -1.9102856701
H    4.5456585151  -3.1067214595  -2.3914363616
*