! 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  -4.8251094555   1.7905887085   0.4079870721
F   -1.2914733652  -3.0811354768   0.4779545943
F   -2.8406829922  -2.7642237464  -0.9718529035
F   -0.7990343601  -2.3337071306  -1.4786733135
O    2.2001347347   1.8161662497  -0.4300207268
N    2.6900914802  -1.0717182172   0.1547010484
N    0.4735512933  -0.7851536659   0.5520646707
N    4.8396173385  -1.5703688169   0.1149993150
C    1.4964314898  -0.3904064263  -0.0783640222
C    1.5651617473   0.7409785623  -1.0687360332
C    2.3471570859   2.9371018754  -1.2832836356
C   -0.7533942120  -0.1436811750   0.4532166596
C    2.9705123637   4.0791319174  -0.5126516329
C   -1.8724815138  -0.8498188461  -0.0041090705
C   -0.9223178280   1.1665545593   0.8956657098
C   -3.1226216060  -0.2504623637  -0.0264388104
C    2.8463147117  -2.1969286850   0.9396410154
C    2.1312711051   4.5537037934   0.6643818070
C    3.9354674989  -0.7448629920  -0.3106885903
C   -1.7022634812  -2.2562399862  -0.4912927270
C   -2.1690444830   1.7657071692   0.8837979692
C   -3.2615221405   1.0518151657   0.4226964375
C    4.1679516758  -2.4843046250   0.8947687237
H    0.5526676438   1.0009506158  -1.3956150652
H    2.1074812680   0.4139447072  -1.9654281125
H    1.3678770560   3.2399884477  -1.6773815923
H    2.9739244063   2.6724469146  -2.1439586156
H    3.9702513231   3.7926533253  -0.1756627885
H    3.1108190904   4.8991957113  -1.2204052318
H   -0.0681914888   1.7183607805   1.2658303252
H   -3.9890757750  -0.7861837254  -0.3872540533
H    2.0185566078  -2.6792978558   1.4278005464
H    2.0256523548   3.7835695603   1.4283532748
H    2.5861188549   5.4227588634   1.1404331947
H    1.1285828805   4.8428190174   0.3435151048
H    4.1250725295   0.1037863044  -0.9463942501
H   -2.2809216921   2.7824133718   1.2341493607
H    4.6798476390  -3.3012175368   1.3769133129
*