! 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  -4.8191291367  -0.8643204487   0.7286434298
O    3.3118906645   1.6554587737   0.4078372704
O    0.0489166153  -0.6303030034   1.5219787076
N    1.9064273738  -0.0987810564   0.3208008758
N    0.5848608393  -1.9514954952  -0.2393429107
N   -0.0906476740  -3.0921318942  -1.9978102118
C    2.1197332171   1.2076426745   1.0077639795
C    3.1454243220  -0.5271062414  -0.3889189596
C    4.1104191275   0.5171985562   0.1851933115
C    1.0133381234   2.2091973217   0.7024691049
C    2.3175832649   1.0549062276   2.5143519490
C    3.6100645041  -1.9265359888  -0.0119095282
C    3.0773577126  -0.3685398824  -1.9042695782
C    0.7597595232   2.4755742949  -0.7764391967
C    0.8301822504  -0.8373616901   0.6169596483
C   -0.6245172166   3.0818488889  -1.0301762629
C   -1.7229905508   2.1395764149  -0.6240635057
C    0.3873811519  -3.2413148385   0.1896381081
C    0.2666557057  -1.9194762897  -1.5597453085
C   -2.5241455728   2.3885780660   0.4851827928
C   -1.9163492718   0.9455398911  -1.3162905841
C   -0.0052684895  -3.9287622066  -0.9144494064
C   -3.4827546465   1.4759066909   0.9047750502
C   -2.8562918872   0.0141787751  -0.9071609298
C   -3.6338345523   0.2903095105   0.2067395269
H    4.5750343596   0.1599118359   1.1119273298
H    4.9061785270   0.7717673962  -0.5133259039
H    1.2689709950   3.1440876922   1.2093490493
H    0.1024663530   1.8544370689   1.1857142992
H    3.0601443284   0.2949795884   2.7601134186
H    1.3930680970   0.7923636916   3.0202980605
H    2.6613525301   2.0062802629   2.9219262829
H    3.0488164386  -2.7121487673  -0.5151583382
H    3.5571883013  -2.0950585070   1.0645660912
H    4.6531119084  -2.0407643513  -0.3120568112
H    2.4439282287  -1.1147070004  -2.3780546354
H    2.7261192258   0.6203081937  -2.1979236313
H    4.0780047845  -0.5003716452  -2.3176255369
H    1.5222043306   3.1438356061  -1.1798536695
H    0.8341368699   1.5489856080  -1.3505661051
H   -0.7118158179   3.3197133669  -2.0930830581
H   -0.7253379023   4.0258693274  -0.4893463886
H    0.5716482192  -3.5457709361   1.2059915998
H    0.2793917636  -1.0093499767  -2.1366570730
H   -2.3981369529   3.3087263607   1.0427405570
H   -1.3225828242   0.7326051876  -2.1973880940
H   -0.2272717546  -4.9811345308  -0.9883553817
H   -4.0949230227   1.6905409385   1.7702273887
H   -2.9800833073  -0.9110789429  -1.4538146240
*