! 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  -5.4182204652  -0.5516253143   0.2449888216
O    3.0319909804  -0.0171912417  -1.2986460888
O    0.3875210672  -0.4590232412  -0.5298911800
N    1.1740231704   1.6331247203   0.0768864988
N    1.3701391520   2.5132628999   1.0621192800
N    1.0339211644   3.5710264303  -0.8870426976
C    2.9869182668  -1.7566290622   0.3951852229
C    2.6997788144  -0.2801296400   0.0445109967
C    1.2699776769   0.2006846012   0.3198407215
C    2.4771831274  -2.0609811848   1.8047173428
C    2.3803388960  -2.7541362866  -0.5938210533
C    4.5097726486  -1.9286198063   0.3809949057
C    0.9831945035   2.2739882840  -1.0782963141
C   -0.9498775541  -0.4235110117  -0.2826061937
C    1.2739537892   3.6568025054   0.4345293767
C   -1.7364060252  -1.1725756685  -1.1531592994
C   -1.5455934095   0.2894905312   0.7505351908
C   -3.1086588886  -1.2144901334  -0.9933589422
C   -2.9250240972   0.2456163442   0.9099716647
C   -3.6979465073  -0.5022308872   0.0415730988
H    3.3226272821   0.3201772145   0.7207598672
H    1.0243541583   0.0544576123   1.3752747430
H    2.8302564123  -1.3276382607   2.5338559721
H    1.3871531609  -2.0923428154   1.8608082855
H    2.8364685011  -3.0385511250   2.1302855486
H    2.6842339913  -2.5510599674  -1.6209811586
H    1.2924271518  -2.7772960934  -0.5611964845
H    2.7290828429  -3.7597845951  -0.3500709531
H    4.7789268742  -2.9549922178   0.6365496441
H    4.9940304629  -1.2714667557   1.1069908987
H    4.9339908221  -1.7136002133  -0.6001318776
H    3.5240200131   0.8079104518  -1.3417877828
H    0.7937277367   1.7819202734  -2.0181012527
H    1.3815041345   4.5950058906   0.9551507028
H   -1.2711275575  -1.7281137123  -1.9571064239
H   -0.9773338792   0.8896917105   1.4472747843
H   -3.7090566905  -1.8020822883  -1.6739621956
H   -3.3810995469   0.8047278953   1.7152468371
*