! 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   5.5768372769   0.0013643812   0.2759629317
O   -0.1504171406  -0.6822368020  -0.7491325191
O   -2.6249757705  -0.7794385084  -1.6659293897
N   -1.2629917859   1.2196087708   0.0555856519
N   -1.2844454363   1.9492160018   1.1780692866
N   -1.4067167392   3.2720109863  -0.6285111722
C   -3.4259187356  -1.4884300943   0.4879260414
C   -2.4568639964  -0.8449529135  -0.4748426009
C   -1.1586902568  -0.2239692884   0.0948207642
C   -2.7150524259  -2.6657343457   1.1711069490
C   -3.8510248287  -0.4564787332   1.5404109097
C   -4.6502806653  -1.9937541052  -0.2661307806
C    1.1624209359  -0.4775978110  -0.4308491223
C   -1.3347354640   2.0234819037  -1.0132149722
C    2.0745599801  -0.9604783268  -1.3640971037
C    1.6100510001   0.1524505289   0.7216865767
C   -1.3752596715   3.1668688099   0.7165778121
C    3.4319443939  -0.8172260305  -1.1485064714
C    2.9754781954   0.2969613947   0.9354949974
C    3.8763501253  -0.1852718186   0.0043999458
H   -0.9911602310  -0.4939789745   1.1396358682
H   -3.4158385253  -3.1616932135   1.8440293069
H   -2.3704349183  -3.4042778833   0.4463089080
H   -1.8609007555  -2.3560948472   1.7742382812
H   -4.3541033358   0.3995207294   1.0885866246
H   -3.0189663483  -0.0862720677   2.1399698544
H   -4.5538065837  -0.9260462104   2.2298224589
H   -5.3463036267  -2.4536373699   0.4361187708
H   -4.3893318717  -2.7472136579  -1.0098665579
H   -5.1804919111  -1.1863942322  -0.7723051874
H   -1.3242338121   1.6713149629  -2.0319849305
H    1.7175303807  -1.4516341232  -2.2598456921
H    0.9354206602   0.5435969017   1.4702329889
H   -1.4181126014   4.0187522172   1.3762549091
H    4.1342287107  -1.1968782052  -1.8776706569
H    3.3211366821   0.7911323152   1.8328111952
*