! 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  -6.3696878088   4.8295906749   0.4573003582
O    1.8282698011   1.0375087178  -0.0473608305
O    1.3414469656  -2.8280460471   1.3450557573
N    2.2939015356  -1.1676205625   0.1221568085
N    3.0799506340  -3.3725417841  -0.0048422403
N    4.5893177294  -4.9747873306  -0.0214733351
C    1.3023732781  -0.1302436197   0.5407723158
C    3.4549529315  -0.5303860548  -0.5570783873
C    3.2291514148   0.9017225221  -0.0761796023
C   -0.0644301067  -0.3965806454  -0.0839570341
C    1.2469186545   0.0394232491   2.0570041381
C    4.8210528256  -1.0152366211  -0.0936172480
C    3.3397193273  -0.5885953489  -2.0769794123
C   -1.0902623355   0.7029676271   0.1702652868
C    2.1659491820  -2.4256958740   0.5474040423
C   -2.4055118363   0.4121240135  -0.5546433807
C   -3.4185582948   1.4954237439  -0.3215488665
C    3.1243378872  -3.8453254354  -1.2933834856
C    3.9690906016  -4.0998920963   0.7179714350
C   -3.4680244008   2.6154949624  -1.1477587526
C   -4.2998933570   1.4340216793   0.7547491596
C    4.0589909718  -4.8333736079  -1.2770240731
C   -4.3689093249   3.6445431503  -0.9171723855
C   -5.2087812858   2.4522048277   1.0033687978
C   -5.2344426325   3.5520038209   0.1610297612
H    3.6741175035   1.0611525387   0.9146021519
H    3.6459485693   1.6408212509  -0.7599669499
H   -0.4551155233  -1.3411050669   0.2977471850
H    0.0718535407  -0.5227179214  -1.1620977858
H    2.2439011876   0.0922221131   2.4949445039
H    0.7091701067  -0.7691024665   2.5423342010
H    0.7342724683   0.9706500948   2.2962272077
H    5.1350898589  -1.9376649994  -0.5783910693
H    4.8666683113  -1.1479930972   0.9875948980
H    5.5586495842  -0.2561409978  -0.3599974225
H    3.4901832090  -1.5950919490  -2.4602014660
H    2.3714575335  -0.2307093037  -2.4269633429
H    4.1110817256   0.0412375033  -2.5218689378
H   -1.2929459455   0.7968173524   1.2401606654
H   -0.7061293386   1.6702616621  -0.1624391085
H   -2.8027972008  -0.5471539235  -0.2132365793
H   -2.2140099183   0.3099574298  -1.6258542063
H    2.4702968992  -3.4856401530  -2.0683767211
H    4.1318500892  -3.9253135101   1.7699273681
H   -2.7948185198   2.6898448554  -1.9933058562
H   -4.2843640930   0.5746997852   1.4142616535
H    4.3715525059  -5.4532898903  -2.1015422676
H   -4.3946236592   4.5037374508  -1.5735845642
H   -5.8878379036   2.3836626052   1.8423284278
*