! 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   5.2275418374   3.7042305300  -0.0813192550
O   -1.7238448768  -1.1891531981   1.7495152833
N   -1.1735350356  -2.7854049639  -0.5663474743
N   -0.2428188347  -3.0125475104  -1.4979226129
N   -0.2098747731  -4.6397551791   0.0438793220
C   -1.7899316706  -0.5735358362   0.4808112852
C   -2.9259682048   0.4777674955   0.4555071518
C   -0.5638402749   0.3256341211   0.2184885499
C   -2.5396638930   1.4032550864  -0.7128803306
C   -1.0182775841   1.2592956016  -0.9015011850
C   -4.3826992725   0.0038346337   0.3935983220
C   -2.0538291015  -1.6343664333  -0.6062666623
C    0.7801495839  -0.3567873060  -0.0362187228
C   -4.7654355341  -0.9411537772   1.5288227057
C   -5.3177499394   1.2119802361   0.4058952178
C    1.9047443636   0.6403334530  -0.0474250931
C   -1.1421777784  -3.7644553228   0.3389795567
C    2.4223816293   1.1211761730  -1.2464233358
C    2.4361018120   1.1327779374   1.1423409831
C    3.4401949215   2.0639309834  -1.2683858302
C    3.4549891935   2.0730985748   1.1428782393
C    0.3078059364  -4.1250349688  -1.0854027472
C    3.9489758373   2.5319568228  -0.0684370074
H   -2.8095201533   1.0385006107   1.3919206751
H   -0.4604441436   0.9222068889   1.1342086302
H   -2.8266840924   2.4335606999  -0.5062096104
H   -3.0709621607   1.1114471541  -1.6223253889
H   -0.7850207339   0.8277816724  -1.8786267485
H   -0.5006281710   2.2171174952  -0.8568049578
H   -4.5436955555  -0.5168178753  -0.5579973042
H   -1.9763964396  -1.2117467090  -1.6066316738
H   -3.0694463548  -2.0141633510  -0.5025552538
H    0.7601697258  -0.8830623260  -0.9903674852
H    0.9829756920  -1.1101616681   0.7336722816
H   -0.8265358241  -1.5047543539   1.9037878279
H   -5.8242465756  -1.1990146813   1.4638215529
H   -4.2057769575  -1.8756252057   1.5159408410
H   -4.6016730791  -0.4728545870   2.5021353852
H   -6.3609496293   0.8934459975   0.3731469921
H   -5.1545991483   1.8723899943  -0.4459815953
H   -5.1824420557   1.8022130269   1.3155855323
H   -1.8229482052  -3.8229726091   1.1722422973
H    2.0303872618   0.7542797918  -2.1870283279
H    2.0557799910   0.7738269437   2.0913162774
H    3.8293255938   2.4224986862  -2.2114942765
H    3.8587751403   2.4385350904   2.0771590741
H    1.1143432927  -4.5895363822  -1.6305033886
*