! 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  -1.3750056458   0.8354554174  -3.1396507703
Cl  -3.0818061301   3.5491775402   1.1345791087
F    2.2530831415   0.1560008635   1.7088046137
F    3.7033361284  -1.1052223516   0.7296436686
F    4.3728270429   0.9566946438  -0.9655116711
F    4.5689095426   1.4266120506   1.1575081660
O    2.0005649593  -0.2936841396  -0.4664258530
N   -1.5537745809  -2.8693967147  -0.0738855884
N   -2.7395849738  -2.4336881882   0.3615576953
N   -1.7993598930  -3.7925973248   1.8798693663
C   -0.0910077973  -1.1600502394  -1.1671776729
C   -0.9754943269  -2.4036554784  -1.3132117821
C    1.1834240206  -1.4710289004  -0.3985281235
C   -0.8447781970   0.0167966552  -0.5990845102
C   -1.4497952937   0.9727210734  -1.4119209391
C   -0.9890308606   0.1851013366   0.7763104559
C    2.8707591668  -0.0567865049   0.5177474039
C   -2.1388656840   2.0610388408  -0.8971337021
C   -1.6754482605   1.2536589611   1.3240018300
C   -1.0075018826  -3.6717998330   0.8422329444
C   -2.2392339544   2.1913380327   0.4756993196
C    3.6780921026   1.1927102732   0.1691186044
C   -2.8404453755  -3.0150050914   1.5286880941
H    0.2180439395  -0.9280639356  -2.1886575906
H   -1.7930909563  -2.1962705512  -1.9995876916
H   -0.3942601447  -3.2185146738  -1.7436671308
H    0.9875724544  -1.7554145473   0.6372133597
H    1.7070709908  -2.2996876124  -0.8786906947
H   -0.5602888844  -0.5363061281   1.4593694475
H   -2.5850834992   2.7906331669  -1.5582499321
H   -1.7632089459   1.3505372300   2.3967631721
H   -0.0536078116  -4.1574327658   0.7062603221
H    3.0419329086   2.0673100346   0.0348337504
H   -3.7077454070  -2.8747368487   2.1543594319
*
