! 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  -1.0431082465  -0.4694583455  -2.0563704610
Cl  -3.1911062880   3.6689786323   0.5410246623
F    3.3794709916  -0.9319419564  -0.5749537542
F    1.9916218835   0.6667097617  -0.9907823770
F    4.5422674588   1.4469794828  -1.2241283676
F    4.9996376139   0.7699632265   0.7999711258
O    2.3547975190   0.0822776754   1.1377586995
N   -1.6303393585  -2.7637869171   0.4613715282
N   -1.5233452312  -3.5804316779  -0.5891485234
N   -3.6028843954  -2.7472011905  -0.4500985417
C    0.3066939584  -1.2442783979   0.6320750763
C   -0.4848063843  -2.4023311385   1.2579799446
C    1.5839693470  -1.0818524906   1.4513128062
C   -0.5399535301   0.0017351906   0.5770545941
C   -1.1987164181   0.4176671562  -0.5778051657
C   -0.7488806204   0.7617965026   1.7257513781
C    2.8976454456   0.2300178315  -0.0780418525
C   -2.0133827210   1.5403492295  -0.6037678288
C   -1.5554820638   1.8858076400   1.7354654598
C   -2.8655040532  -2.2651890585   0.5204495136
C   -2.1804178738   2.2673588693   0.5602639917
C    4.0205544580   1.2631353403   0.0087738434
C   -2.7266950565  -3.5373500453  -1.0973791649
H    0.5792047317  -1.5544745309  -0.3776801910
H    0.1460409111  -3.2849673305   1.3575651563
H   -0.8362802343  -2.1353356367   2.2545817616
H    1.3618067293  -0.9663917791   2.5111745870
H    2.1961420092  -1.9799814031   1.3519261267
H   -0.2751850691   0.4735539392   2.6552893725
H   -2.5071978967   1.8371188739  -1.5184350126
H   -1.6904124737   2.4514279911   2.6463705711
H   -3.1869901490  -1.5844406454   1.2936832322
H    3.6746168624   2.2162545276   0.4065622026
H   -2.9901019793  -4.1129973282  -1.9710826757
*
