! 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   4.9189307285   1.3783267231  -2.4517218356
O   -0.2910994716  -0.8737061348  -0.5577914493
N   -2.1718346260   1.3058263700  -0.0761381961
N   -3.4564380480   1.4469343575   0.2658955053
N   -3.1729097045   1.9132359895  -1.9096247338
C   -0.8049203111  -0.6250046898   0.7339353977
C   -2.0593516486  -1.5232103944   1.0261257727
C    0.2132477489  -1.0110702540   1.8369522830
C   -1.7311881019  -2.2414889592   2.3504376981
C   -0.6619649921  -1.3952724123   3.0185414811
C   -2.5042903932  -2.4982463865  -0.0754987152
C   -1.1632505680   0.8666226062   0.8601088072
C    1.3247243439  -0.0168415661   2.1825026469
C   -3.5943994737  -3.4273553114   0.4617108103
C   -3.0479815161  -1.8046200972  -1.3219927000
C    2.2308239753   0.3365690399   1.0324250661
C   -2.0238346044   1.5792049020  -1.3715830414
C    2.9418228586  -0.6532228342   0.3515482366
C    2.3862060438   1.6559195978   0.6144880756
C    3.7687441343  -0.3421929046  -0.7163527320
C    3.2113094556   1.9876024306  -0.4510792439
C   -4.0110899797   1.8063993710  -0.8637056008
C    3.8937299964   0.9809336262  -1.1120633319
H   -2.9121145232  -0.8619622162   1.2126766321
H    0.6868516795  -1.9359094672   1.4845438956
H   -1.3132944795  -3.2313990878   2.1427507585
H   -2.6152306318  -2.3900945681   2.9699647124
H   -1.0918901817  -0.5070781459   3.4919765378
H   -0.1067130082  -1.9329539764   3.7883367905
H   -1.6474655939  -3.1190270074  -0.3609348850
H   -0.2832426128   1.4881874583   0.6904906461
H   -1.5290056041   1.0982490112   1.8592016461
H    1.9246722673  -0.4716985800   2.9759328791
H    0.9065735520   0.8946421018   2.6158366708
H    0.5783248493  -0.4625065546  -0.6285334367
H   -4.4570922996  -2.8548084834   0.8131104672
H   -3.9469853133  -4.0978216601  -0.3238188054
H   -3.2537949873  -4.0521270892   1.2868884072
H   -3.9172733028  -1.1896371863  -1.0759572836
H   -3.3762751826  -2.5456017428  -2.0540621553
H   -2.3149584367  -1.1692222796  -1.8115375421
H   -1.0716951891   1.5460725363  -1.8752740273
H    2.8572054940  -1.6892032010   0.6564885498
H    1.8587682897   2.4494091994   1.1303701507
H    4.3092359802  -1.1251691708  -1.2304444993
H    3.3148799958   3.0196872687  -0.7567024407
H   -5.0680734253   2.0113339185  -0.9305262281
*