! 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   2.5088327244  -0.7387071161  -1.5319279389
Cl   0.2770485449  -5.3562435618  -0.0977224565
O   -1.0112068317   1.1262520848   0.5876390200
O    0.3770168288   1.2749349947  -1.1515473606
N    1.3534481318   2.6314113999   1.0978541027
N    2.2168689536   3.3336138013   0.3589754141
N    0.8068584838   4.7074202200   1.4366764117
C    0.2274830801   0.6900129643   0.1037823422
C   -1.8215943736   1.5704959512  -0.5041287979
C   -0.9207406962   1.3306432364  -1.7129474326
C   -3.1413726106   0.8323267197  -0.5691871340
C    1.3140996525   1.1936829639   1.0552610829
C    0.2645627939  -0.8374413094   0.0325302647
C   -4.0224923582   1.0295129698   0.6570619239
C    1.2360422541  -1.5427181759  -0.6765225183
C   -0.6863462284  -1.5853509043   0.7206397168
C   -5.3507931652   0.2996644133   0.5331703667
C    1.2462771158  -2.9288380157  -0.7243364473
C   -0.6987519596  -2.9695347748   0.6942470053
C    0.5157114804   3.4616608333   1.7207359281
C    0.2705026431  -3.6300331316  -0.0387286151
C    1.8543753005   4.5645273904   0.6032938529
H   -2.0032417002   2.6417634841  -0.3640330688
H   -1.1721081909   0.3935197767  -2.2246481836
H   -0.9552490401   2.1400329799  -2.4401006369
H   -2.9568238583  -0.2347735345  -0.7326550617
H   -3.6700288767   1.1914052639  -1.4584780685
H    2.2980591855   0.8402219199   0.7573559644
H    1.1166447516   0.8077065490   2.0548624368
H   -4.2028831033   2.0979875628   0.8073871104
H   -3.4993903087   0.6778711593   1.5500520560
H   -1.4458840903  -1.0786690043   1.2983416164
H   -5.9165270602   0.6465195265  -0.3334799834
H   -5.2028525513  -0.7759549279   0.4196594764
H   -5.9730715530   0.4533690905   1.4154119055
H    2.0072657839  -3.4492809758  -1.2887764543
H   -1.4559606876  -3.5162929322   1.2380458305
H   -0.2665711407   3.1263766743   2.3816538640
H    2.3710072258   5.4012493476   0.1597741377
*