! 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   4.9013400419  -0.6295011403   0.1438644061
Cl  -5.3619906740   1.1632994578   0.2521288805
F   -1.3433673532  -1.3529470021  -1.3941121370
F    0.1866750258  -2.1665002630   0.8412763776
O   -4.0549229181  -0.8558626461  -1.3652371916
O    2.8963715410   3.1816635570  -0.2434429942
O    4.4844357327   1.9443735613  -1.2113696288
N    1.3175486366   1.0695049112  -0.1503890348
N    2.8589276880  -2.6442892380   0.8692409693
C   -0.9412747388   0.3297532643   0.1888058394
C    0.5104368009   0.0605991891   0.1565038226
C   -1.8241186420  -0.4028396979  -0.5847565627
C    1.0126893477  -1.1773464120   0.4828051596
C   -1.4519523247   1.3643355479   0.9659783707
C    2.3833073033  -1.4474574177   0.4945329458
C   -3.1959015282  -0.1729933609  -0.5888362194
C    2.6257700584   0.8632622613  -0.1741961473
C    3.2001074869  -0.3652871321   0.1239658398
C   -2.8086024134   1.6310846712   0.9847022992
C   -3.6685842271   0.8555089051   0.2233561261
C    3.4510821495   2.0358773915  -0.5982510167
C   -4.0933660426  -2.2784008009  -1.2330427080
H   -0.7819149293   1.9586422454   1.5711436948
H   -3.1989419962   2.4270336965   1.6027804473
H    2.2341634029  -3.4249018147   0.9734464467
H    3.8292422798  -2.8663490887   0.7302869695
H   -3.8470811284  -2.5972376805  -0.2198510607
H   -3.4239051622  -2.7653138147  -1.9404588449
H   -5.1133969492  -2.5851977950  -1.4542292193
H    3.4355928457   3.9195593654  -0.5684207552
*
