! 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  -1.3803328970  -0.2792411512  -2.3162503061
Cl  -4.9083974994   2.8731749572   0.1544917829
F    3.1129750822   0.1178798527  -1.4781058578
F    4.1876744419   1.5888464042  -0.3217660612
F    4.2733406243  -1.9052682830  -0.0390555361
F    5.3597232727  -0.4350018006   1.1574343488
O    2.7651236956   0.2317798135   0.7297681982
N   -0.8269666609  -2.0272802868   0.8871828007
N   -2.0054793056  -1.8733933381   1.4965531926
N   -2.1627303236  -3.4002063766  -0.1407908461
C    0.3975101593   0.0080416149   0.2268102100
C    0.3072807128  -1.1844105622   1.1893236184
C    1.5261810042   0.9519759222   0.6313322345
C   -0.9151270405   0.7476578646   0.1671911036
C   -1.7856646236   0.6617259613  -0.9167280737
C   -1.3381941978   1.5111538406   1.2532122870
C    3.6588439773   0.3406301907  -0.2554452807
C   -3.0130749991   1.3076847382  -0.9338062236
C   -2.5521695043   2.1731820448   1.2666737529
C   -0.9418664091  -2.9263502806  -0.0900349420
C   -3.3822610586   2.0624857439   0.1642132445
C    4.7955934915  -0.6583360958  -0.0499501156
C   -2.7662135529  -2.7159940729   0.8485814571
H    0.6291001013  -0.3802778218  -0.7659685451
H    1.2080175843  -1.7931321335   1.1276128935
H    0.2048473689  -0.8537142806   2.2220365066
H    1.5943613574   1.7846510946  -0.0702096055
H    1.3619579291   1.3726584677   1.6223023142
H   -0.7107426891   1.5900218481   2.1315766311
H   -3.6670244495   1.2190357635  -1.7899141897
H   -2.8438122760   2.7581634798   2.1273505233
H   -0.1173977147  -3.2153055265  -0.7227836421
H    5.5538014279  -0.5841582186  -0.8300101326
H   -3.8046958973  -2.8494171160   1.1079637684
*
