! 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  -5.4238376073   4.4112454239   1.3109132781
O    1.6872593437   1.1762136892   0.9307989712
O    0.5654495094  -2.7849655438   0.5441945872
N    1.9050214821  -0.9772885719   0.2576088164
N    2.5196216914  -3.0853990464  -0.5733059302
N    3.2677075238  -4.4374328651  -2.1402487267
C    1.0387709857  -0.0712118193   1.0598638442
C    3.0632669657  -0.2410296313  -0.3053663920
C    2.4951564655   1.1727750058  -0.2229702899
C   -0.4041111734   0.0173493192   0.5448430213
C    1.0540835790  -0.4428726509   2.5353460736
C    4.2977205796  -0.3651600144   0.5835040773
C    3.3968497486  -0.5634886684  -1.7553399025
C   -0.5890347862   0.2655781814  -0.9461128813
C    1.5815294641  -2.2642566377   0.1282324264
C   -2.0604381340   0.1926473797  -1.3667295498
C   -2.9165253355   1.2355641215  -0.7051316399
C    3.6621361397  -3.6595786566  -0.0718624797
C    2.3228151309  -3.6028351586  -1.8120460842
C   -3.7394593526   0.9206702074   0.3724312140
C   -2.8826129960   2.5589869274  -1.1403563959
C    4.1066534586  -4.4846053804  -1.0581883772
C   -4.5113030194   1.8881236990   1.0004581059
C   -3.6462125133   3.5406889450  -0.5278631190
C   -4.4576811266   3.1936717699   0.5414380711
H    3.2787193878   1.9216848568  -0.1090105463
H    1.9230979530   1.4176067794  -1.1240025269
H   -0.8702135270   0.8267461417   1.1131476206
H   -0.9373334044  -0.8902139993   0.8273659977
H    2.0743605583  -0.5227199763   2.9107581539
H    0.5452038404  -1.3864613553   2.7170147260
H    0.5374913400   0.3252178456   3.1115194172
H    4.6948633512  -1.3784212121   0.5889823521
H    4.0893156016  -0.0761679307   1.6137602832
H    5.0842341878   0.2891292449   0.2062579524
H    3.9609005703   0.2734226785  -2.1701895386
H    4.0232134627  -1.4466944017  -1.8637509957
H    2.5001336031  -0.6837120072  -2.3638628107
H   -0.1925727551   1.2431804352  -1.2294628545
H   -0.0394142178  -0.4760465479  -1.5322977095
H   -2.4511002940  -0.8022325912  -1.1404248080
H   -2.1165823638   0.3109190934  -2.4511055724
H    4.0239786714  -3.4640923938   0.9230418318
H    1.4816460639  -3.3223926669  -2.4270992475
H   -3.7866292192  -0.0999954124   0.7320454092
H   -2.2535636333   2.8339113936  -1.9787160848
H    4.9803855177  -5.1159801671  -1.0418297116
H   -5.1463817208   1.6222084439   1.8345427445
H   -3.6110454550   4.5612836393  -0.8842193966
*