! 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   0.7104530511  -1.1279959591   2.5613731234
Cl   4.4963257958  -1.1973138826  -1.1830300207
O   -2.0391671842  -0.1246528146  -0.8739834218
O   -1.8697779818  -1.2415671504   1.0668313448
N   -0.5516104706   2.1105716690   0.5690091660
N   -0.8241438583   2.7203653787  -0.5867905093
N    1.2297539465   3.2778502334   0.1301365617
C   -1.2862737232  -0.2274062321   0.3021359473
C   -3.0477632698  -1.1363430256  -0.8940677856
C   -2.5385976486  -2.1036972051   0.1607323518
C   -1.3932544844   1.0791139147   1.1114631375
C    0.1685988568  -0.5320554825  -0.0558995112
C   -4.4175817306  -0.5551199276  -0.5858642857
C   -4.8273523876   0.5509963923  -1.5453645846
C    1.1171787253  -0.9195997234   0.8893442931
C    0.6145873632  -0.3473527746  -1.3612541488
C    2.4455963532  -1.1309186360   0.5534465748
C    1.9348981306  -0.5490308685  -1.7253837756
C    0.6781859731   2.4399837462   0.9705669674
C    2.8416268101  -0.9424109205  -0.7585511798
C    0.2662965500   3.4091742812  -0.8006027911
H   -3.0502407258  -1.5891785133  -1.8887540965
H   -3.3306658295  -2.6256933483   0.6961793196
H   -1.8530922587  -2.8453845638  -0.2624628509
H   -1.0877959227   0.9153914630   2.1422139971
H   -2.4284572608   1.4165568644   1.1214182131
H   -4.4422954656  -0.1878859599   0.4451192929
H   -5.1397230512  -1.3740982361  -0.6383232239
H   -4.1481084038   1.4021954748  -1.4923136621
H   -4.8391922772   0.1965041307  -2.5780943774
H   -5.8279370666   0.9148066172  -1.3133120934
H   -0.0850390083  -0.0367557245  -2.1226277551
H    3.1579231727  -1.4330027259   1.3084382040
H    2.2442426521  -0.3985103360  -2.7500090261
H    1.1157103802   2.0690370108   1.8841830970
H    0.3714787147   4.0408123982  -1.6684674278
*