! 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   0.6960444431  -1.1308025800  -2.1280796101
Cl   5.2239718360  -0.7143568321   0.6909754384
O   -1.1223827089   1.2749537175   1.0792452084
N   -2.8686879487  -0.9113072183   0.4364606529
N   -4.7676752306  -0.6285091230  -0.6517379967
C   -0.7110653362   0.2335603006   0.2306336134
C   -1.4433189028  -1.0521028048   0.6219512880
C    0.7806215125   0.0230781049   0.3294326419
C    1.4999910525  -0.6072123606  -0.6819552146
C    1.4855944142   0.4149679252   1.4629804230
C   -3.7703930984  -0.4368029084   1.3482819425
C   -3.5138202960  -0.9879758557  -0.7482063817
C   -1.8723085201   2.3087953236   0.4575993793
C    2.8629927148  -0.8394208512  -0.5893602666
C    2.8470464928   0.1950357484   1.5882875822
C    3.5241297683  -0.4318422627   0.5560392901
C   -4.9378481390  -0.2817437761   0.6610577058
C   -1.0830804405   3.0551346217  -0.5693793125
C   -1.4734260295   3.1873463024  -1.8310590434
H   -0.9598501621   0.4683560720  -0.8117913009
H   -1.0938980293  -1.8928271074   0.0228229001
H   -1.2460209929  -1.2968568295   1.6654551507
H    0.9664524752   0.9081232347   2.2724826153
H   -3.5129665207  -0.2701401354   2.3803573435
H   -3.0227148637  -1.3296532072  -1.6469870231
H   -2.7980024120   1.9196943644   0.0152549469
H   -2.1622433339   2.9783038838   1.2703643181
H    3.3939249941  -1.3274434905  -1.3945071396
H    3.3676765634   0.5107439423   2.4812730770
H   -5.8881172515   0.0560966678   1.0429815813
H   -0.1544662861   3.5101984965  -0.2355391439
H   -0.8962374608   3.7542726577  -2.5498677252
H   -2.3956185628   2.7423894277  -2.1900098287
*