! 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  -5.3608990244   4.4694879247   1.2787703575
O    1.6709298908   1.1825223608   0.8998351152
O    0.5364329915  -2.7770035255   0.5357545940
N    1.8999408723  -0.9836057856   0.2653697759
N    2.4983935550  -3.0998340430  -0.5580067693
N    3.2521094972  -4.4528483561  -2.1210372315
C    1.0352836035  -0.0684933516   1.0606239550
C    3.0553790925  -0.2505119332  -0.3126394856
C    2.4829103846   1.1628025194  -0.2502068924
C   -0.4138190437   0.0059992760   0.5641128588
C    1.0735864545  -0.4154242017   2.5407398220
C    4.2933314917  -0.3522621705   0.5733498872
C    3.3841921162  -0.5914541432  -1.7587283612
C   -0.6174319964   0.2210573443  -0.9295814913
C    1.5632714835  -2.2669176521   0.1325155093
C   -2.0937867811   0.1331801799  -1.3297583201
C   -2.9370086877   1.2010526443  -0.6922743382
C    3.6767347090  -3.6180543552  -0.0809128314
C    2.2855770508  -3.6475892144  -1.7805655670
C   -3.7510514602   0.9268818329   0.4028017243
C   -2.8930437107   2.5112404654  -1.1653971950
C    4.1223246783  -4.4470920790  -1.0637209487
C   -4.4993384947   1.9225989944   1.0156920424
C   -3.6328438963   3.5203815934  -0.5688756993
C   -4.4311021591   3.2147238681   0.5227346806
H    3.2666338866   1.9127220940  -0.1418824638
H    1.9150098647   1.3968378509  -1.1572105569
H   -0.8707939838   0.8299712988   1.1190869805
H   -0.9460373490  -0.8924326790   0.8754423279
H    0.6075374576  -1.3779258330   2.7399401356
H    0.5273043242   0.3381815524   3.1090364441
H    2.0984659019  -0.4451162054   2.9107779957
H    4.6946012706  -1.3627578075   0.6031215603
H    4.0889576689  -0.0376342518   1.5968674802
H    5.0766132302   0.2943141836   0.1765078167
H    2.4860916511  -0.6968331781  -2.3678810450
H    3.9649247354   0.2329000770  -2.1760163201
H    3.9950341401  -1.4857946100  -1.8635848342
H   -0.2286908184   1.1948709245  -1.2368040403
H   -0.0704804694  -0.5286282644  -1.5077948240
H   -2.4816467547  -0.8526407551  -1.0622505997
H   -2.1644611011   0.2126105393  -2.4168064411
H    4.0569361739  -3.3919654940   0.9002154552
H    1.4168014711  -3.4094492720  -2.3748040188
H   -3.8091557258  -0.0828517875   0.7905860553
H   -2.2727856587   2.7543306240  -2.0199587418
H    5.0196804416  -5.0448066325  -1.0576259249
H   -5.1256625105   1.6875432685   1.8654623424
H   -3.5874943336   4.5298927041  -0.9542673968
*