! 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  -5.0790852839   1.5610455045  -0.2509957551
F   -0.4825696675  -1.9182984144   1.5527822824
F   -2.5148200021  -2.5945824269   1.3953192881
F   -1.1242398899  -3.0094691733  -0.1855759770
O    2.2185890578   1.6808120426   0.6238102214
N    2.5773265480  -0.8950896850  -0.5980314786
N    0.3456060798  -0.6432058059  -0.9546081630
N    4.0207081769  -2.1554812927  -1.6939388238
C    1.3505732161  -0.3193301416  -0.2590690012
C    1.3647248477   0.6114600473   0.9227893901
C    2.4556856649   2.5104354255   1.7484634271
C   -0.9156895562  -0.1009742315  -0.7247696746
C    3.4634079434   3.5776305098   1.3860616442
C   -1.8734704621  -0.7873937213   0.0301512396
C   -1.2715462285   1.1026469915  -1.3264018556
C   -3.1537668975  -0.2715327411   0.1769742355
C    3.7869464977  -0.7750718057   0.0614759424
C    3.0115710404   4.4965528852   0.2609556812
C    2.7923361231  -1.7442300745  -1.6495546643
C   -1.5039141849  -2.0775054383   0.6944546059
C   -2.5465018034   1.6196202939  -1.1833440090
C   -3.4811012931   0.9263374235  -0.4326663919
C    4.6507623765  -1.5571214173  -0.6264728750
H    1.7029230749   0.0540990623   1.8076502405
H    0.3468829576   0.9541046544   1.1364269258
H    2.8316271677   1.9073710434   2.5850269510
H    1.5163007028   2.9719097390   2.0816006083
H    3.6436997263   4.1628292459   2.2908221384
H    4.4172363423   3.1076215807   1.1316845743
H   -0.5422764635   1.6351258980  -1.9217708058
H   -3.8976031259  -0.7921506185   0.7632435684
H    3.9329986685  -0.1709007168   0.9384651782
H    2.0543250062   4.9669421115   0.4940492686
H    3.7367406647   5.2940089030   0.0975763917
H    2.8983528076   3.9627975734  -0.6825973631
H    2.0095923637  -2.0151974549  -2.3377974773
H   -2.8023479364   2.5573358734  -1.6570524031
H    5.6949149906  -1.7220830093  -0.4158032811
*
