! 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  -0.1790956014  -0.4508083093  -2.1382484231
Cl   4.0219924919  -2.2540397048   0.6220210641
O   -0.5643506632   2.5830701569   0.9573900976
N   -2.3336752254  -0.5805069520   0.5995365447
N   -2.2796260687  -2.7446133454   0.1787262328
C   -0.8076238650   1.3426489596   0.3373690363
C   -1.9477815914   0.7001173206   1.1357331435
C    0.4212336535   0.4599214490   0.3542862166
C    0.7687770056  -0.3897132281  -0.6902773595
C    1.2259956247   0.4370514092   1.4909424869
C   -3.2102433649  -0.7984129208  -0.4283368664
C   -1.7910576038  -1.7787288955   0.9111844473
C    0.2249813289   3.4692188591   0.1931514125
C    1.8741364926  -1.2254445170  -0.6234924412
C    2.3319506139  -0.3874516600   1.5908486935
C    2.6454805195  -1.2141004698   0.5240140241
C   -3.1674417558  -2.1385133482  -0.6669618182
C   -0.5224078649   4.1839058260  -0.8873506106
C   -1.8367539373   4.1878693632  -1.0672311807
H   -1.1451410649   1.4898746938  -0.6947528693
H   -1.6489024473   0.5685036526   2.1765890263
H   -2.8165480120   1.3581533470   1.1268792181
H    0.9834507143   1.0819545722   2.3254455001
H   -3.7776712645  -0.0015836787  -0.8799609299
H   -1.0632573517  -1.8928131390   1.7001484208
H    0.6375645411   4.2042343907   0.8899444432
H    1.0920012660   2.9570460928  -0.2429887260
H    2.1237346977  -1.8717659524  -1.4532295981
H    2.9361283916  -0.3847040158   2.4870867832
H   -3.7295630950  -2.6973542458  -1.3983072520
H    0.1111539834   4.7550287530  -1.5577524329
H   -2.2817768762   4.7469304501  -1.8789926000
H   -2.5212128672   3.6464992836  -0.4274001916
*
