! 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  -2.2332597491  -2.4691529565   1.8997767205
Cl  -4.7711794110  -1.0758355879   1.9453771955
F    3.7701068914   1.5740031330  -2.0297680937
F    2.9673961444  -0.2839912067  -2.8357966260
O    0.8800818188  -0.2527917778   1.3084155070
N    1.2183213542   1.0599036326  -0.5034160617
N    4.7855445819  -1.4739872295   0.8752892756
N    5.0475400319  -1.0254711798  -0.3447788212
C   -1.5473133361  -0.5016348902  -0.5982248595
C   -3.5392790548   0.6008669731  -0.5658800674
C   -2.1146300051  -0.7249480914  -2.0263180609
C   -3.4769980168   0.0142707764  -2.0011239248
C   -2.8369885441  -0.5035975589   0.1844148737
C   -1.2301847143   0.9723799189  -0.4915717119
C   -2.4549390463   1.6491946376  -0.4940650081
C   -0.0434132458   1.6839495723  -0.4893504157
C   -2.5249682326   3.0263864312  -0.5250323087
C   -3.2255986296  -1.2466777341   1.1997270943
C   -0.1082511718   3.0802778762  -0.5085641608
C   -1.3272935177   3.7390398661  -0.5350836087
C    1.6111467987   0.1366424507   0.4093178883
C    2.9788172291  -0.3928984148   0.2825418480
C    3.9732592867  -0.3648814864  -0.7241273263
C    3.5646912803  -1.1304237195   1.2920016226
C    3.9835877253   0.2199132838  -2.0859437630
C    5.7556566416  -2.2644467179   1.6031187127
H   -0.7767073444  -1.2015990641  -0.2973663433
H   -4.5267240526   0.9053906258  -0.2297043278
H   -2.2491922815  -1.7914657810  -2.2073073633
H   -1.4346260596  -0.3449179950  -2.7882565993
H   -3.5533730027   0.7984617208  -2.7536932399
H   -4.3045046157  -0.6776145365  -2.1592471756
H   -3.4760782470   3.5427366478  -0.5443653552
H    0.8100298290   3.6546216113  -0.4944712378
H   -1.3427244994   4.8206865306  -0.5511011939
H    1.9301849482   1.5266428642  -1.0431742707
H    3.1911181429  -1.4164644430   2.2617260346
H    4.9287095231   0.0460760303  -2.5989541814
H    5.3806597615  -3.2728999575   1.7600477668
H    5.9667780822  -1.8058926129   2.5657076633
H    6.6706111331  -2.3099748611   1.0226618328
*