! 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   1.7573849156  -0.7458458544  -2.2044327678
Cl   0.6796103643  -5.3995375838   0.1541012480
O   -0.6927529103   1.0387947400   1.1483288496
O   -0.1916504136   1.1250493334  -1.0416131543
N    1.5714604390   2.6447852120   0.6687428443
N    1.8420755260   3.4063755409  -0.3956152904
N    1.0994511504   4.6687160813   1.3064256998
C    0.2431351642   0.6284004219   0.1930224356
C   -1.8340825920   1.6039192747   0.5061343377
C   -1.2490698475   2.0460022496  -0.8259303336
C   -2.9809461673   0.6126279504   0.3921920183
C    1.6059959345   1.2076145320   0.6084012136
C    0.3478727499  -0.8916221323   0.1370235125
C   -4.2719397348   1.2843980873  -0.0617712772
C    1.0049438381  -1.5762804943  -0.8840219525
C   -0.1863978827  -1.6530918528   1.1718776893
C   -5.4371848428   0.3110953990  -0.1394116805
C    1.1074790070  -2.9595742652  -0.8895755671
C   -0.0956854919  -3.0342859740   1.1943549618
C    1.1204895088   3.4088501506   1.6650073296
C    0.5513380430  -3.6768440727   0.1544133531
C    1.5473858002   4.6034564538   0.0381431639
H   -2.1475888175   2.4613768344   1.1066354914
H   -1.9516300873   1.9662248093  -1.6563266516
H   -0.8805434552   3.0762540635  -0.7935552089
H   -3.1427395595   0.1496597726   1.3698015793
H   -2.7179966101  -0.1946630899  -0.2999492622
H    2.3887436655   0.9145271887  -0.0873506230
H    1.8766754563   0.8222655151   1.5917428530
H   -4.1283883826   1.7532886639  -1.0395713857
H   -4.5182216799   2.0956576737   0.6296422158
H   -0.6894674453  -1.1617722773   1.9915768461
H   -6.3525085840   0.8131678566  -0.4545135878
H   -5.2392287034  -0.4906102203  -0.8531571735
H   -5.6323013234  -0.1518654045   0.8294785833
H    1.6173258090  -3.4651815647  -1.6974557277
H   -0.5240171155  -3.5923879797   2.0146575678
H    0.8455291393   3.0141998712   2.6297275504
H    1.6684417675   5.4738414313  -0.5873980683
*