! 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   0.8941516388  -0.9798645442  -2.1775860655
Cl   5.6898147361  -0.4825940357   0.0916826824
O   -1.0205899864  -0.6608038231   0.0349483308
O   -0.6446115121   0.8133026740   1.6680400609
N   -2.0580610392   1.8898350868  -0.5764222521
N   -2.6532783305   2.6836966611   0.3175702539
N   -4.1789308113   1.7244217698  -1.0223599516
C   -0.2785033514   0.4731099245   0.3659961932
C   -1.5090232752  -1.2819333023   1.2251651545
C   -0.9282500936  -0.4055941317   2.3341753310
C   -3.0264645793  -1.3157021937   1.2195655014
C   -0.6427064703   1.6362600536  -0.5587686337
C    1.2240822100   0.2017345455   0.2691557801
C   -3.6420767290  -2.0769619677   0.0503123961
C    1.8199300828  -0.4330002714  -0.8194707841
C    2.0654412660   0.6343054191   1.2895708603
C   -3.3770096065  -3.5745962297   0.0913436977
C    3.1892220804  -0.6458200256  -0.8840206427
C    3.4342374149   0.4294642252   1.2563394332
C   -2.9782884610   1.3147958765  -1.3506808998
C    3.9842694455  -0.2150256269   0.1631017013
C   -3.9154953083   2.5523098132   0.0065397852
H   -1.1010963144  -2.2945942957   1.2847333375
H   -1.6333149398  -0.2050430302   3.1402362527
H   -0.0218377945  -0.8413272069   2.7665497213
H   -3.4045070837  -0.2882431627   1.2371259946
H   -3.3483618996  -1.7758933551   2.1596122856
H   -0.3203489772   1.4273090362  -1.5772578568
H   -0.1273667862   2.5399852714  -0.2367992474
H   -3.2820415341  -1.6612407084  -0.8931974826
H   -4.7209847699  -1.9055942439   0.0591409905
H    1.6487377266   1.1500461331   2.1430939207
H   -3.7813595147  -4.0219871238   1.0008758022
H   -3.8423289977  -4.0790861785  -0.7562373896
H   -2.3120581310  -3.8077015069   0.0569267090
H    3.6236614450  -1.1441348684  -1.7392429090
H    4.0539337802   0.7736698837   2.0720269864
H   -2.7291925087   0.6361611146  -2.1504391245
H   -4.6845009709   3.0862891101   0.5422573580
*