! 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   5.0180172365   4.6333559609  -0.2012481376
O   -0.6513581339  -1.7283102788   1.3527741166
N   -1.4946492168  -3.4455850139  -0.9034830768
N   -1.8018890617  -4.0869578805   0.2303072592
N   -3.2120371580  -4.6831726870  -1.4031395019
C   -0.7661232349  -1.2638937210   0.0275511813
C   -2.1490765031  -0.6090936614  -0.3280069140
C    0.2977928150  -0.1677238067  -0.2429309646
C   -1.8254679365   0.8330566371  -0.7356795575
C   -0.3960394477   0.7466717201  -1.2527034002
C   -3.2787409257  -0.7763676499   0.6994137734
C   -0.4672270831  -2.4287168279  -0.9346555331
C    0.7327510241   0.5820029528   1.0258975112
C   -3.1455263982   0.0952293685   1.9453591828
C   -4.6280610266  -0.5148329020   0.0336096021
C    1.7955301231   1.6024666250   0.7333470941
C   -2.3495504736  -3.8034152691  -1.8586386307
C    1.5068217721   2.9631650564   0.6883265005
C    3.1062453853   1.2019796473   0.4785293808
C    2.4879778138   3.9027134591   0.4015651682
C    4.1006204585   2.1227907915   0.1891222967
C   -2.8346550775  -4.8129650741  -0.1206871997
C    3.7800922681   3.4713990654   0.1534885573
H   -2.5062634195  -1.1033911675  -1.2395468691
H    1.1967826623  -0.6189811795  -0.6774983345
H   -1.8728349824   1.5126417396   0.1181908735
H   -2.5210516860   1.2189428037  -1.4819225775
H   -0.3854297886   0.2868679930  -2.2451186342
H    0.0898826368   1.7178244691  -1.3552122645
H   -3.2855360858  -1.8231928094   1.0229752769
H    0.4895687532  -2.8868085399  -0.6802017362
H   -0.4015473892  -2.0750852503  -1.9623752067
H    1.1250331034  -0.1326822713   1.7500056941
H   -0.1212595740   1.0690416945   1.5024650666
H   -1.1650981306  -2.5449632096   1.4368964410
H   -2.1724530213  -0.0028419959   2.4238062340
H   -3.3020779514   1.1515364399   1.7182394318
H   -3.9019130119  -0.1845042552   2.6812902444
H   -4.7894957659  -1.1753016582  -0.8206042933
H   -4.7052975113   0.5142935994  -0.3244939966
H   -5.4497889961  -0.6777147962   0.7335119625
H   -2.2998555158  -3.4151027749  -2.8634992591
H    0.4976740472   3.3047746765   0.8848069493
H    3.3640703483   0.1499092622   0.5107917038
H    2.2427628710   4.9557851085   0.3754159676
H    5.1123279785   1.7911642724  -0.0013565023
H   -3.3292314842  -5.4666408371   0.5801349863
*