! 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  -5.0050037875   1.1311023681  -2.3688865154
O    1.9801449629   1.5185436642  -0.5780201163
O    2.0484086014  -1.3083357016   2.4559988594
N    1.9403518845  -0.5617499014   0.3118137638
N    1.7820066602  -2.8434066127   0.8066330014
N    0.8021799641  -4.6847875489   0.1043652040
C    1.8882020360   0.8864731765   0.6793386101
C    2.1546781949  -0.7172032669  -1.1535618842
C    2.7136276087   0.6752781518  -1.4333024300
C    0.5251465651   1.2243491913   1.2759063761
C    3.0616589006   1.3216768968   1.5502681214
C    3.1820135565  -1.7683651689  -1.5455740974
C    0.8492494554  -0.9119295077  -1.9186908032
C    0.2682303156   2.7135637351   1.4725718669
C    1.9416168313  -1.4994940980   1.2599265186
C   -1.1787922803   2.9901176518   1.8964345213
C   -2.1737145930   2.5482078483   0.8594338819
C    2.6815732977  -3.8598737496   1.0125081990
C    0.6656815734  -3.3996654104   0.2714727116
C   -2.3141620453   3.2560016155  -0.3328194137
C   -2.9363638479   1.3968080445   1.0305555311
C    2.0632377181  -4.9797270064   0.5521019210
C   -3.1808838115   2.8312676925  -1.3276169188
C   -3.8100513012   0.9532973622   0.0472352509
C   -3.9215793398   1.6764349315  -1.1277714615
H    3.7905897738   0.7168093840  -1.2234419362
H    2.5534343538   0.9883995697  -2.4649708058
H    0.4136138550   0.7135397740   2.2341351493
H   -0.2345234560   0.8096872288   0.6086578295
H    4.0133739453   0.9715038637   1.1481192588
H    2.9745652571   0.9679624818   2.5730007255
H    3.0973910716   2.4111925785   1.5781870203
H    2.7813648365  -2.7800432971  -1.5607499528
H    4.0595217662  -1.7458583069  -0.8988335353
H    3.5190229665  -1.5496543640  -2.5604915236
H    0.1035120959  -0.1619680458  -1.6549614628
H    1.0426525381  -0.8265243397  -2.9887046717
H    0.4160105464  -1.8958363306  -1.7534208913
H    0.9335282756   3.1175625039   2.2391626968
H    0.4782621898   3.2650944975   0.5532963240
H   -1.2894621295   4.0611430586   2.0806621887
H   -1.3853012581   2.4865930600   2.8440576026
H    3.6599776653  -3.6894061169   1.4285488965
H   -0.2280815816  -2.8276288853   0.0819282645
H   -1.7364543845   4.1580730656  -0.4956062337
H   -2.8478885687   0.8251444443   1.9463555259
H    2.4600664582  -5.9814755424   0.5182886405
H   -3.2748047660   3.3955323169  -2.2455034957
H   -4.3899464984   0.0533973195   0.2005416900
*