! 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  -4.6908534117   1.0404884448  -2.7684711092
O    2.4870043959   1.5844166098   0.2625427517
O    1.7613706432  -2.4636376902  -1.3711112803
N    2.3069532813  -0.6232013981  -0.1591595719
N    0.9306847876  -2.3071212396   0.7319951452
N    0.4181377746  -3.2807143093   2.6378153692
C    2.0122816033   0.4153946878   0.8865946665
C    3.1707093971  -0.0498145925  -1.2216437061
C    3.6060845956   1.2301010481  -0.5163768378
C    0.5156906217   0.5958264758   1.1343383410
C    2.7909079895   0.1698267851   2.1749729661
C    4.3767222751  -0.9153589341  -1.5488905179
C    2.3691922461   0.2986623240  -2.4747992481
C    0.1386418352   1.9189763801   1.7924626762
C    1.7015130686  -1.7969092485  -0.3569093570
C   -1.3502334019   1.9525235449   2.1570744413
C   -2.2363306975   1.7360089202   0.9632036810
C   -0.4180847210  -2.5626464236   0.6831114288
C    1.3831077175  -2.7729477608   1.9244674558
C   -2.4115608990   2.7477560306   0.0214438123
C   -2.8474071473   0.5075737601   0.7278700745
C   -0.7132435076  -3.1431026032   1.8762177146
C   -3.1647174557   2.5454460542  -1.1244586161
C   -3.6054642607   0.2836846671  -0.4130792353
C   -3.7542430958   1.3080562428  -1.3330599482
H    4.4972641651   1.0666316053   0.1021469981
H    3.8217242444   2.0375809375  -1.2151898590
H    0.1549763148  -0.2113223338   1.7729684499
H   -0.0104367673   0.5044939237   0.1804273436
H    3.8318631851  -0.0905717428   1.9844368881
H    2.3515593643  -0.6243869796   2.7731676043
H    2.7788240242   1.0730136008   2.7850143844
H    4.1144424290  -1.7976317959  -2.1277527648
H    4.8973874269  -1.2333465367  -0.6450714489
H    5.0794203588  -0.3306442487  -2.1450498522
H    3.0139746504   0.8270457574  -3.1782474539
H    1.9871443277  -0.5847706538  -2.9799748061
H    1.5274048932   0.9518006962  -2.2406866560
H    0.7138061061   2.0760329244   2.7078429601
H    0.3652317574   2.7559797991   1.1295807127
H   -1.5749159344   2.9174816908   2.6167367309
H   -1.5556212701   1.1899392882   2.9121186793
H   -1.0287285305  -2.2856276889  -0.1596735197
H    2.4278349447  -2.7578658811   2.1903682693
H   -1.9508804493   3.7157607466   0.1790685940
H   -2.7274725287  -0.2992639145   1.4411517141
H   -1.6791684899  -3.4687893933   2.2268867183
H   -3.2890011596   3.3441347634  -1.8430095920
H   -4.0693091919  -0.6792713465  -0.5784701309
*