! 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   5.9766391164   1.6973511784  -0.0691611864
O   -2.5004600380  -0.8398265271  -1.6308868787
N   -2.5910065855   1.4190748858   0.3056451337
N   -2.7663908464   1.8799690441  -0.9371803331
N   -2.2734660751   3.5657628795   0.4492050172
C   -1.8861577672  -0.8617669706  -0.3542071889
C   -1.7773120347  -2.3457778227   0.0534202485
C   -0.4047422090  -0.4457923514  -0.5078665031
C   -0.7246528846  -2.8533559303  -0.9450162003
C    0.2196296643  -1.6670561199  -1.2101978978
C   -3.0807159229  -3.1629013928   0.1123739779
C   -2.6962070322   0.0032111505   0.6134689792
C    0.3026592212  -0.1224061766   0.8169076288
C   -2.8269275097  -4.6554882139  -0.0983224192
C   -3.8067590444  -2.9928832395   1.4465790320
C    1.7221607549   0.3268255508   0.6083387751
C   -2.2974246486   2.4333798261   1.1153661631
C    1.9936966372   1.5487634279  -0.0054555018
C    2.7989451449  -0.4583910112   1.0076400132
C    3.2938106365   1.9773291101  -0.2190440497
C    4.1095905136  -0.0471381103   0.8052488864
C   -2.5647104382   3.1669561281  -0.7998367992
C    4.3449238230   1.1703534603   0.1902797316
H   -1.3287248622  -2.3759943839   1.0542102329
H   -0.3410172600   0.4423697964  -1.1439821530
H   -1.2026346613  -3.1717037855  -1.8726296160
H   -0.1944579009  -3.7217233118  -0.5543751448
H    1.2237198011  -1.8635171554  -0.8319352990
H    0.3297657066  -1.4885681493  -2.2795305436
H   -3.7439215426  -2.8257881392  -0.6905939410
H   -2.3699805948  -0.1250238662   1.6442363641
H   -3.7494070700  -0.2735290992   0.5650478166
H    0.2938077143  -0.9914693003   1.4788382320
H   -0.2255429695   0.6724516181   1.3480215821
H   -2.5916033082   0.0886678559  -1.8925726527
H   -3.7594830031  -5.2151540586  -0.0047620428
H   -2.4174335268  -4.8780205230  -1.0831749799
H   -2.1343418828  -5.0516097594   0.6484375330
H   -3.1927894751  -3.3678056193   2.2693542148
H   -4.7403663556  -3.5584569542   1.4528328513
H   -4.0629727395  -1.9604568716   1.6797186451
H   -2.1217125725   2.3087864630   2.1722012035
H    1.1786990017   2.1891942840  -0.3224182034
H    2.6196767281  -1.4108064813   1.4911512374
H    3.4820580248   2.9297670918  -0.6955342428
H    4.9315049168  -0.6731902051   1.1248645373
H   -2.6286046207   3.8410050960  -1.6392198598
*