! 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   1.5947379494   2.1643949175   1.3061099938
Cl   5.7191241007  -0.7706862039  -0.3463324171
O   -0.9202624552  -1.0678016142  -0.6022622270
O   -0.7473197269   0.3478388306   1.1151744736
N   -2.0498027825   1.4708532501  -1.1534983450
N   -2.8258524531   0.9092656528  -2.0849807153
N   -4.0735709377   2.0371261715  -0.5988183206
C   -0.2666697790   0.0907562562  -0.1672507743
C   -1.5328516168  -1.7270954403   0.5100493099
C   -1.0090545578  -0.9194958321   1.6931871739
C   -3.0449264471  -1.7104656517   0.3650587559
C   -0.6298959326   1.2476788411  -1.1029258919
C    1.2488845119  -0.1155811987  -0.1729223408
C   -3.7396542849  -2.6126504457   1.3773403501
C    2.1387077007   0.7626933701   0.4451198793
C    1.7967117429  -1.2015583556  -0.8489520170
C   -5.2534440878  -2.5672587951   1.2373191809
C    3.5112255907   0.5692386946   0.3989422210
C    3.1625765257  -1.4211991457  -0.9105283133
C   -2.8073829553   2.1238225580  -0.2712065236
C    4.0101423840  -0.5269702454  -0.2821151476
C   -4.0221362670   1.2778525122  -1.7102114594
H   -1.1723347778  -2.7591166737   0.5451938490
H   -1.7349241566  -0.7917258757   2.4955420237
H   -0.0984519982  -1.3565886718   2.1161809183
H   -3.3077925692  -2.0350954244  -0.6453584880
H   -3.4152830855  -0.6856365772   0.4726206549
H   -0.2808134431   1.0270739254  -2.1097399521
H   -0.1431489064   2.1674005026  -0.7845104855
H   -3.4637914633  -2.3207689799   2.3951102296
H   -3.3881370203  -3.6407545953   1.2504008944
H    1.1431929407  -1.9030811806  -1.3468674144
H   -5.6348759312  -1.5566876536   1.3953994916
H   -5.5692257209  -2.8853601428   0.2420432942
H   -5.7413729682  -3.2199017357   1.9621192893
H    4.1767431531   1.2659887064   0.8896286071
H    3.5513537091  -2.2775442008  -1.4433068787
H   -2.4009443918   2.6641051021   0.5685063099
H   -4.8996851383   0.9957077767  -2.2706505594
*