! 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  -5.0145667043   1.3310330901   0.7671508026
F   -1.9097668714  -1.1282296257  -2.5371855720
F    0.0721271410  -0.6003239368  -1.8973915941
F   -0.7994199185  -2.4660692110  -1.2768068551
O    2.4919865793   1.3718949764  -0.3541510774
N    2.6518926745  -1.1069164763   0.9078589982
N    0.3840556287  -1.0323544716   0.9461437226
N    3.9784204597  -2.8700003803   0.8741598103
C    1.4619448900  -0.3775566746   0.8500494809
C    1.5962080160   1.1113407269   0.6892412171
C    2.7894600350   2.7508324816  -0.5092484439
C   -0.8615297530  -0.4163269761   0.8771054271
C    1.6827308243   3.5410573481  -1.1849081330
C   -1.6375198317  -0.5019382618  -0.2841270212
C   -1.3938022941   0.2191404961   1.9952625633
C   -2.9146539640   0.0400837749  -0.3169125838
C    3.9252548126  -0.6448534573   1.1775706778
C    1.3249764998   3.0125207100  -2.5648947950
C    2.7564202634  -2.4594189578   0.7350072008
C   -1.0734053783  -1.1749641848  -1.4973039057
C   -2.6663358167   0.7606348975   1.9675833262
C   -3.4197224514   0.6645727251   0.8099698865
C    4.7167076688  -1.7433909604   1.1580058403
H    1.9439771435   1.5348467847   1.6435221726
H    0.6041330501   1.5356034988   0.5054284374
H    3.6946745237   2.7905673074  -1.1188401290
H    3.0328027689   3.1946244165   0.4644090115
H    0.7916946169   3.5783694394  -0.5519525915
H    2.0338208249   4.5737132962  -1.2618894112
H   -0.8062805288   0.2819140221   2.9013477616
H   -3.5192741888  -0.0171451666  -1.2108753600
H    4.1542064120   0.3861547296   1.3774573237
H    0.5787867654   3.6451986193  -3.0464726855
H    2.2007657498   2.9852778434  -3.2162229152
H    0.9150110062   2.0033366263  -2.5199247316
H    1.9039537361  -3.0721681064   0.4931052036
H   -3.0597989974   1.2535472095   2.8459359630
H    5.7792750866  -1.7886886020   1.3327493267
*