! 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  -4.7390792981   1.6831149707   0.7337506568
F    0.1378136909  -0.7082496756  -1.9604467723
F   -0.8318970838  -2.4762770645  -1.2192984790
F   -1.8938621340  -1.1299342164  -2.5096949260
O    0.9647785791   1.6061348569   0.2517279764
N    2.6863096683  -1.5448743847   0.7939342933
N    0.4761207910  -1.0624710995   0.9366126660
N    4.7246475269  -2.3906556667   0.7158175778
C    1.6286978859  -0.6369487407   0.6574120958
C    2.0437924100   0.7326338631   0.1789748861
C    0.8546105244   2.5280558136  -0.8167754233
C   -0.7105470276  -0.3505390982   0.8480589469
C    1.8811771094   3.6453410495  -0.7574403485
C   -1.5111710762  -0.4200504838  -0.2974361453
C   -1.2018210289   0.3230206154   1.9649894505
C   -2.7488384180   0.2110698629  -0.3319876429
C    2.5826099837  -2.8587102428   1.2047448003
C    1.6611761655   4.6532178643  -1.8751057887
C    4.0073935592  -1.3297610732   0.5111091153
C   -1.0299988309  -1.1805201405  -1.4920843807
C   -2.4305358038   0.9508119389   1.9344909406
C   -3.1968626611   0.8966010873   0.7800477316
C    3.8416803110  -3.3526815897   1.1495885436
H    2.4323103823   0.6279101005  -0.8430422830
H    2.8791195632   1.0785731218   0.7987874066
H   -0.1535021755   2.9417946859  -0.7444314758
H    0.9217082724   2.0058044737  -1.7796786707
H    1.8149924370   4.1446194132   0.2125890248
H    2.8911279269   3.2316897784  -0.8329225677
H   -0.6041499370   0.3607707342   2.8653937469
H   -3.3656805052   0.1711962628  -1.2185176747
H    1.6465016514  -3.3027721169   1.4911707437
H    2.4028039041   5.4505944522  -1.8351287585
H    1.7367256364   4.1842678361  -2.8575839425
H    0.6759733108   5.1171393306  -1.8052085868
H    4.3897106165  -0.3849754779   0.1613820351
H   -2.7853537202   1.4798946428   2.8082840198
H    4.1677109311  -4.3489912179   1.4002033634
*