! 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  -5.2741112500   0.9677179832   0.7211562017
F    0.1079935077   0.0839486667  -1.7982782800
F   -0.5221783858  -1.9673931430  -1.6696004713
F   -1.7372564871  -0.5343132877  -2.7072566214
O    2.2138082737   1.4591780544  -0.0725261476
N    2.4995076658  -1.1121701942   0.9861156304
N    0.2301461696  -1.1400100805   0.9430166920
N    3.9119787554  -2.7999801829   0.8275261394
C    1.2789514175  -0.4340262774   0.9572858625
C    1.3566984705   1.0672933043   0.9575817374
C    2.3137768080   2.8634758424  -0.2033674736
C   -1.0419323921  -0.5810398592   0.8698597824
C    3.1996818987   3.1860200729  -1.3861928045
C   -1.6881908235  -0.3953723302  -0.3580174287
C   -1.7329782101  -0.2883286385   2.0422672426
C   -2.9897386583   0.0862396040  -0.4001892035
C    3.7469054104  -0.6115252362   1.3043244316
C    2.6624448187   2.6615912860  -2.7097367206
C    2.6721377572  -2.4401473506   0.7082621631
C   -0.9638051376  -0.7050155439  -1.6323275862
C   -3.0302410892   0.1889346911   2.0044307627
C   -3.6505009968   0.3742019414   0.7802050028
C    4.5915403135  -1.6652793002   1.2081994221
H    1.7090470184   1.4014791057   1.9452335028
H    0.3500056237   1.4820756604   0.8340279285
H    2.7275302335   3.3020691927   0.7142612005
H    1.3166988103   3.3015316626  -0.3493314026
H    3.2955773501   4.2734225170  -1.4298098576
H    4.2056341997   2.7979627176  -1.2049038402
H   -1.2474431886  -0.4439301181   2.9960731908
H   -3.4932238299   0.2397287390  -1.3439600425
H    3.9247065135   0.4113794920   1.5831659281
H    3.3039434041   2.9668608721  -3.5368275480
H    2.6058394562   1.5736587536  -2.7237888597
H    1.6614266960   3.0478942081  -2.9106509166
H    1.8536178574  -3.0733948433   0.4096117966
H   -3.5477551762   0.4128645057   2.9268682559
H    5.6537741956  -1.6727497746   1.3904855640
*