! 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   5.0631883442  -2.3054609377  -0.1091507952
O    0.3387879625   1.1547887635  -0.2943247181
O   -1.1181415643  -0.7741239248  -1.3546755054
N   -1.7357993306   1.9456342182   0.1693158971
N   -2.0912838617   2.7383893576   1.1883786580
N   -3.0917403964   3.3892573965  -0.7131568661
C   -2.5668392439  -1.1898035990   0.5171530773
C   -1.4974671126  -0.4412502582  -0.2613640649
C   -0.8551230940   0.8306529925   0.3587704963
C   -2.9485389059  -2.4540283204  -0.2482884314
C   -2.0292988278  -1.5781716272   1.9009620464
C   -3.8113546724  -0.3037878977   0.6845463761
C    1.4010730785   0.3078940816  -0.1950512927
C   -2.3428694867   2.3468968546  -0.9552928777
C    1.5093426029  -0.7021975895   0.7514008433
C    2.4316737664   0.5203916896  -1.1050692745
C   -2.9030548792   3.5801596569   0.6097219473
C    2.6400293165  -1.5080868525   0.7756173817
C    3.5602665760  -0.2775354773  -1.0760424423
C    3.6563942088  -1.2947670549  -0.1368643560
H   -0.7200976977   0.7286566237   1.4378069722
H   -3.3793617115  -2.2299595055  -1.2241413962
H   -2.0948383914  -3.1161305048  -0.3965648896
H   -3.6962879038  -3.0066341894   0.3213580617
H   -1.1359665106  -2.2012316129   1.8339466178
H   -2.7886521152  -2.1609559179   2.4235285554
H   -1.8059150507  -0.7176446000   2.5323353531
H   -3.6402479346   0.5601479950   1.3261328214
H   -4.5979250160  -0.8946645697   1.1557993240
H   -4.1945044093   0.0462811421  -0.2753137159
H   -2.2088496177   1.8661145294  -1.9116494453
H    0.7456016989  -0.8846413704   1.4954954819
H    2.3487708199   1.3103839238  -1.8399559846
H   -3.3817396137   4.3716189498   1.1636232443
H    2.7130965234  -2.2950966942   1.5132793328
H    4.3550380194  -0.1064484466  -1.7889314488
*