! 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   5.2285363280   3.2860778117  -0.7154947117
O   -2.0859416595  -1.1386809710   1.5082853290
N   -0.7037126077  -2.6991052931  -0.5016941526
N    0.3914598544  -2.5854893165  -1.2585993243
N    0.7350666063  -4.0627754707   0.3931309607
C   -1.9773779665  -0.6500962935   0.1865236036
C   -3.2150434953   0.1966923796  -0.2701018555
C   -0.7779104607   0.3219195632   0.0620272331
C   -2.7522842687   1.6740536556  -0.2123063346
C   -1.3800642135   1.6688653254   0.4469863119
C   -4.5301648585  -0.0596319301   0.4860096971
C   -1.8707941505  -1.8752256897  -0.7225776410
C    0.4603100325  -0.0238265854   0.8975768189
C   -5.6492999567   0.8015352765  -0.1003029371
C   -4.9859990972  -1.5165277200   0.4481896039
C    1.6482432656   0.8097682137   0.5042756759
C   -0.4815133589  -3.5753890587   0.4769750288
C    2.0265391637   1.9298183644   1.2380983118
C    2.3980753231   0.4795749864  -0.6234728735
C    3.1218688162   2.6995196694   0.8705277783
C    3.4954727167   1.2341359288  -1.0075873579
C    1.2225584668  -3.4171969592  -0.6826952501
C    3.8496328660   2.3412618847  -0.2517844591
H   -3.4111715421  -0.0569196412  -1.3184001085
H   -0.4958627353   0.3630066401  -0.9969429432
H   -3.4496671000   2.3093857861   0.3341092291
H   -2.6829259216   2.0848095403  -1.2208718562
H   -0.7596751447   2.5129826870   0.1440666469
H   -1.4775242125   1.7336610238   1.5372287748
H   -4.3970933677   0.2354863582   1.5339764655
H   -1.8411197975  -1.5575972364  -1.7622421894
H   -2.7494747286  -2.5082677739  -0.6049427710
H    0.7307104326  -1.0744101505   0.8009464635
H    0.2434892588   0.1389420609   1.9555337305
H   -2.1644634516  -0.3966761431   2.1175865084
H   -5.8312309892   0.5436952497  -1.1467467474
H   -6.5823781343   0.6400259220   0.4424649112
H   -5.4357623565   1.8693657118  -0.0577291596
H   -4.3040190469  -2.1908621845   0.9616218099
H   -5.0991098260  -1.8645315390  -0.5819501563
H   -5.9605256529  -1.6203976334   0.9293612290
H   -1.2250654950  -3.8433220631   1.2097847227
H    1.4641979142   2.2101719584   2.1204160871
H    2.1259669821  -0.3887663771  -1.2121665149
H    3.4027051849   3.5629684105   1.4581313789
H    4.0689663985   0.9566234747  -1.8816191597
H    2.2208597200  -3.5703829647  -1.0616647110
*